International Nuclear Information System (INIS)
Hari Selvi Viswanathan
1999-01-01
Yucca Mountain, Nevada has been chosen as a possible site for the first high level radioactive waste repository in the United States. As part of the site investigation studies, we need to make scientifically rigorous estimations of radionuclide migration in the event of a repository breach. Performance assessment models used to make these estimations are computationally intensive. We have developed two reactive transport modeling techniques to simulate radionuclide transport at Yucca Mountain: (1) the selective coupling approach applied to the convection-dispersion-reaction (CDR) model and (2) a reactive stream tube approach (RST). These models were designed to capture the important processes that influence radionuclide migration while being computationally efficient. The conventional method of modeling reactive transport models is to solve a coupled set of multi-dimensional partial differential equations for the relevant chemical components in the system. We have developed an iterative solution technique, denoted the selective coupling method, that represents a versatile alternative to traditional uncoupled iterative techniques and the filly coupled global implicit method. We show that selective coupling results in computational and memory savings relative to these approaches. We develop RST as an alternative to the CDR method for solving large two- or three-dimensional reactive transport simulations for cases in which one is interested in predicting the flux across a specific control plane. In the RST method, the multidimensional problem is reduced to a series of one-dimensional transport simulations along streamlines. The key assumption with RST is that mixing at the control plane approximates the transverse dispersion between streamlines. We compare the CDR and RST approaches for several scenarios that are relevant to the Yucca Mountain Project. For example, we apply the CDR and RST approaches to model an ongoing field experiment called the Unsaturated Zone
International Nuclear Information System (INIS)
Lawrence, R.D.; Dorning, J.J.
1980-01-01
A coarse-mesh discrete nodal integral transport theory method has been developed for the efficient numerical solution of multidimensional transport problems of interest in reactor physics and shielding applications. The method, which is the discrete transport theory analogue and logical extension of the nodal Green's function method previously developed for multidimensional neutron diffusion problems, utilizes the same transverse integration procedure to reduce the multidimensional equations to coupled one-dimensional equations. This is followed by the conversion of the differential equations to local, one-dimensional, in-node integral equations by integrating back along neutron flight paths. One-dimensional and two-dimensional transport theory test problems have been systematically studied to verify the superior computational efficiency of the new method
Reliability of the factor structure of the Multidimensional Scale of Interpersonal Reactivity (EMRI
Directory of Open Access Journals (Sweden)
Nilton S. Formiga
2013-10-01
Full Text Available This study aims to check the internal consistency and factor structure evaluative of the empathy scale in a high school and college sample in the state of Minas Gerais. The instruments that measure empathy can be easily found, however, of the existing, just multidimensional scale of interpersonal reactivity (Emri is the theoretical framework that has far more and better organized, and the scale that is most commonly used to assess this construct. Participated 488 subjects, male and female, with ages from 14-54 years old, distributed in primary and college levels in Patrocínio-MG composed this study sample. The subjects answered the Multidimensional Scale of Interpersonal Reactivity and socio-demographic data. From an equation analysis and structural modeling were observed psychometric indicators that assured the structural consistency of the scale, promoting in the security of the measure theoretical construct of empathy.
Transport stochastic multi-dimensional media
International Nuclear Information System (INIS)
Haran, O.; Shvarts, D.
1996-01-01
Many physical phenomena evolve according to known deterministic rules, but in a stochastic media in which the composition changes in space and time. Examples to such phenomena are heat transfer in turbulent atmosphere with non uniform diffraction coefficients, neutron transfer in boiling coolant of a nuclear reactor and radiation transfer through concrete shields. The results of measurements conducted upon such a media are stochastic by nature, and depend on the specific realization of the media. In the last decade there has been a considerable efforts to describe linear particle transport in one dimensional stochastic media composed of several immiscible materials. However, transport in two or three dimensional stochastic media has been rarely addressed. The important effect in multi-dimensional transport that does not appear in one dimension is the ability to bypass obstacles. The current work is an attempt to quantify this effect. (authors)
Transport stochastic multi-dimensional media
Energy Technology Data Exchange (ETDEWEB)
Haran, O; Shvarts, D [Israel Atomic Energy Commission, Beersheba (Israel). Nuclear Research Center-Negev; Thiberger, R [Ben-Gurion Univ. of the Negev, Beersheba (Israel)
1996-12-01
Many physical phenomena evolve according to known deterministic rules, but in a stochastic media in which the composition changes in space and time. Examples to such phenomena are heat transfer in turbulent atmosphere with non uniform diffraction coefficients, neutron transfer in boiling coolant of a nuclear reactor and radiation transfer through concrete shields. The results of measurements conducted upon such a media are stochastic by nature, and depend on the specific realization of the media. In the last decade there has been a considerable efforts to describe linear particle transport in one dimensional stochastic media composed of several immiscible materials. However, transport in two or three dimensional stochastic media has been rarely addressed. The important effect in multi-dimensional transport that does not appear in one dimension is the ability to bypass obstacles. The current work is an attempt to quantify this effect. (authors).
Enhancing the design of in situ chemical barriers with multicomponent reactive transport modeling
International Nuclear Information System (INIS)
Sevougian, S.D.; Steefel, C.I.; Yabusaki, S.B.
1994-11-01
This paper addresses the need for systematic control of field-scale performance in the emplacement and operation of in situ chemical treatment barriers; in particular, it addresses the issue of how the local coupling of reaction kinetics and material heterogeneities at the laboratory or bench scale can be accurately upscaled to the field. The authors have recently developed modeling analysis tools that can explicitly account for all relevant chemical reactions that accompany the transport of reagents and contaminants through a chemically and physically heterogeneous subsurface rock or soil matrix. These tools are incorporated into an enhanced design methodology for in situ chemical treatment technologies, and the new methodology is demonstrated in the ongoing design of a field experiment for the In Situ Redox Manipulation (ISRM) project at the U.S. Department of Energy (DOE) Hanford Site. The ISRM design approach, which systematically integrates bench-scale and site characterization information, provides an ideal test for the new reactive transport techniques. The need for the enhanced chemistry capability is demonstrated by an example that shows how intra-aqueous redox kinetics can affect the transport of reactive solutes. Simulations are carried out on massively parallel computer architectures to resolve the influence of multiscale heterogeneities on multicomponent, multidimensional reactive transport. The technology will soon be available to design larger-scale remediation schemes
Asymptotic time dependent neutron transport in multidimensional systems
International Nuclear Information System (INIS)
Nagy, M.E.; Sawan, M.E.; Wassef, W.A.; El-Gueraly, L.A.
1983-01-01
A model which predicts the asymptotic time behavior of the neutron distribution in multi-dimensional systems is presented. The model is based on the kernel factorization method used for stationary neutron transport in a rectangular parallelepiped. The accuracy of diffusion theory in predicting the asymptotic time dependence is assessed. The use of neutron pulse experiments for predicting the diffusion parameters is also investigated
Multidimensional electron-photon transport with standard discrete ordinates codes
International Nuclear Information System (INIS)
Drumm, C.R.
1995-01-01
A method is described for generating electron cross sections that are compatible with standard discrete ordinates codes without modification. There are many advantages of using an established discrete ordinates solver, e.g. immediately available adjoint capability. Coupled electron-photon transport capability is needed for many applications, including the modeling of the response of electronics components to space and man-made radiation environments. The cross sections have been successfully used in the DORT, TWODANT and TORT discrete ordinates codes. The cross sections are shown to provide accurate and efficient solutions to certain multidimensional electronphoton transport problems
Non-standard model for electron heat transport for multidimensional hydrodynamic codes
Energy Technology Data Exchange (ETDEWEB)
Nicolai, Ph.; Busquet, M.; Schurtz, G. [CEA/DAM-Ile de France, 91 - Bruyeres Le Chatel (France)
2000-07-01
In simulations of laser-produced plasma, modeling of heat transport requires an artificial limitation of standard Spitzer-Haerm fluxes. To improve heat conduction processing, we have developed a multidimensional model which accounts for non-local features of heat transport and effects of self-generated magnetic fields. This consistent treatment of both mechanisms has been implemented in a two-dimensional radiation-hydrodynamic code. First results indicate good agreements between simulations and experimental data. (authors)
Non-standard model for electron heat transport for multidimensional hydrodynamic codes
International Nuclear Information System (INIS)
Nicolai, Ph.; Busquet, M.; Schurtz, G.
2000-01-01
In simulations of laser-produced plasma, modeling of heat transport requires an artificial limitation of standard Spitzer-Haerm fluxes. To improve heat conduction processing, we have developed a multidimensional model which accounts for non-local features of heat transport and effects of self-generated magnetic fields. This consistent treatment of both mechanisms has been implemented in a two-dimensional radiation-hydrodynamic code. First results indicate good agreements between simulations and experimental data. (authors)
GAPER-1D, 1-D Multigroup 1. Order Perturbation Transport Theory for Reactivity Coefficient
International Nuclear Information System (INIS)
Koch, P.K.
1976-01-01
1 - Description of problem or function: Reactivity coefficients are computed using first-order transport perturbation theory for one- dimensional multi-region reactor assemblies. The number of spatial mesh-points and energy groups is arbitrary. An elementary synthesis scheme is employed for treatment of two- and three-dimensional problems. The contributions to the change in inverse multiplication factor, delta(1/k), from perturbations in the individual capture, net fission, total scattering, (n,2n), inelastic scattering, and leakage cross sections are computed. A multi-dimensional prompt neutron lifetime calculation is also available. 2 - Method of solution: Broad group cross sections for the core and perturbing or sample materials are required as input. Scalar neutron fluxes and currents, as computed by SN transport calculations, are then utilized to solve the first-order transport perturbation theory equations. A synthesis scheme is used, along with independent SN calculations in two or three dimensions, to treat a multi- dimensional assembly. Spherical harmonics expansions of the angular fluxes and scattering source terms are used with leakage and anisotropic scattering treated in a P1 approximation. The angular integrations in the perturbation theory equations are performed analytically. Various reactivity coefficients and material worths are then easily computed at specified positions in the assembly. 3 - Restrictions on the complexity of the problem: The formulation of the synthesis scheme used for two- and three-dimensional problems assumes that the fluxes and currents were computed by the DTF4 code (NESC Abstract 209). Therefore, fluxes and currents from two- or three-dimensional transport or diffusion theory codes cannot be used
Fully multidimensional flux-corrected transport algorithms for fluids
International Nuclear Information System (INIS)
Zalesak, S.T.
1979-01-01
The theory of flux-corrected transport (FCT) developed by Boris and Book is placed in a simple, generalized format, and a new algorithm for implementing the critical flux limiting stage in multidimensions without resort to time splitting is presented. The new flux limiting algorithm allows the use of FCT techniques in multidimensional fluid problems for which time splitting would produce unacceptable numerical results, such as those involving incompressible or nearly incompressible flow fields. The 'clipping' problem associated with the original one dimensional flux limiter is also eliminated or alleviated. Test results and applications to a two dimensional fluid plasma problem are presented
Bodin, Jacques
2015-03-01
In this study, new multi-dimensional time-domain random walk (TDRW) algorithms are derived from approximate one-dimensional (1-D), two-dimensional (2-D), and three-dimensional (3-D) analytical solutions of the advection-dispersion equation and from exact 1-D, 2-D, and 3-D analytical solutions of the pure-diffusion equation. These algorithms enable the calculation of both the time required for a particle to travel a specified distance in a homogeneous medium and the mass recovery at the observation point, which may be incomplete due to 2-D or 3-D transverse dispersion or diffusion. The method is extended to heterogeneous media, represented as a piecewise collection of homogeneous media. The particle motion is then decomposed along a series of intermediate checkpoints located on the medium interface boundaries. The accuracy of the multi-dimensional TDRW method is verified against (i) exact analytical solutions of solute transport in homogeneous media and (ii) finite-difference simulations in a synthetic 2-D heterogeneous medium of simple geometry. The results demonstrate that the method is ideally suited to purely diffusive transport and to advection-dispersion transport problems dominated by advection. Conversely, the method is not recommended for highly dispersive transport problems because the accuracy of the advection-dispersion TDRW algorithms degrades rapidly for a low Péclet number, consistent with the accuracy limit of the approximate analytical solutions. The proposed approach provides a unified methodology for deriving multi-dimensional time-domain particle equations and may be applicable to other mathematical transport models, provided that appropriate analytical solutions are available.
International Nuclear Information System (INIS)
Downar, T.
2009-01-01
The overall objective of the work here has been to eliminate the approximations used in current resonance treatments by developing continuous energy multi-dimensional transport calculations for problem dependent self-shielding calculations. The work here builds on the existing resonance treatment capabilities in the ORNL SCALE code system. The overall objective of the work here has been to eliminate the approximations used in current resonance treatments by developing continuous energy multidimensional transport calculations for problem dependent self-shielding calculations. The work here builds on the existing resonance treatment capabilities in the ORNL SCALE code system. Specifically, the methods here utilize the existing continuous energy SCALE5 module, CENTRM, and the multi-dimensional discrete ordinates solver, NEWT to develop a new code, CENTRM( ) NEWT. The work here addresses specific theoretical limitations in existing CENTRM resonance treatment, as well as investigates advanced numerical and parallel computing algorithms for CENTRM and NEWT in order to reduce the computational burden. The result of the work here will be a new computer code capable of performing problem dependent self-shielding analysis for both existing and proposed GENIV fuel designs. The objective of the work was to have an immediate impact on the safety analysis of existing reactors through improvements in the calculation of fuel temperature effects, as well as on the analysis of more sophisticated GENIV/NGNP systems through improvements in the depletion/transmutation of actinides for Advanced Fuel Cycle Initiatives.
Reactive transport models and simulation with ALLIANCES
International Nuclear Information System (INIS)
Leterrier, N.; Deville, E.; Bary, B.; Trotignon, L.; Hedde, T.; Cochepin, B.; Stora, E.
2009-01-01
Many chemical processes influence the evolution of nuclear waste storage. As a result, simulations based only upon transport and hydraulic processes fail to describe adequately some industrial scenarios. We need to take into account complex chemical models (mass action laws, kinetics...) which are highly non-linear. In order to simulate the coupling of these chemical reactions with transport, we use a classical Sequential Iterative Approach (SIA), with a fixed point algorithm, within the mainframe of the ALLIANCES platform. This approach allows us to use the various transport and chemical modules available in ALLIANCES, via an operator-splitting method based upon the structure of the chemical system. We present five different applications of reactive transport simulations in the context of nuclear waste storage: 1. A 2D simulation of the lixiviation by rain water of an underground polluted zone high in uranium oxide; 2. The degradation of the steel envelope of a package in contact with clay. Corrosion of the steel creates corrosion products and the altered package becomes a porous medium. We follow the degradation front through kinetic reactions and the coupling with transport; 3. The degradation of a cement-based material by the injection of an aqueous solution of zinc and sulphate ions. In addition to the reactive transport coupling, we take into account in this case the hydraulic retroaction of the porosity variation on the Darcy velocity; 4. The decalcification of a concrete beam in an underground storage structure. In this case, in addition to the reactive transport simulation, we take into account the interaction between chemical degradation and the mechanical forces (cracks...), and the retroactive influence on the structure changes on transport; 5. The degradation of the steel envelope of a package in contact with a clay material under a temperature gradient. In this case the reactive transport simulation is entirely directed by the temperature changes and
Fluid-rock interaction: A reactive transport approach
Energy Technology Data Exchange (ETDEWEB)
Steefel, C.; Maher, K.
2009-04-01
Fluid-rock interaction (or water-rock interaction, as it was more commonly known) is a subject that has evolved considerably in its scope over the years. Initially its focus was primarily on interactions between subsurface fluids of various temperatures and mostly crystalline rocks, but the scope has broadened now to include fluid interaction with all forms of subsurface materials, whether they are unconsolidated or crystalline ('fluid-solid interaction' is perhaps less euphonious). Disciplines that previously carried their own distinct names, for example, basin diagenesis, early diagenesis, metamorphic petrology, reactive contaminant transport, chemical weathering, are now considered to fall under the broader rubric of fluid-rock interaction, although certainly some of the key research questions differ depending on the environment considered. Beyond the broadening of the environments considered in the study of fluid-rock interaction, the discipline has evolved in perhaps an even more important way. The study of water-rock interaction began by focusing on geochemical interactions in the absence of transport processes, although a few notable exceptions exist (Thompson 1959; Weare et al. 1976). Moreover, these analyses began by adopting a primarily thermodynamic approach, with the implicit or explicit assumption of equilibrium between the fluid and rock. As a result, these early models were fundamentally static rather than dynamic in nature. This all changed with the seminal papers by Helgeson and his co-workers (Helgeson 1968; Helgeson et al. 1969) wherein the concept of an irreversible reaction path was formally introduced into the geochemical literature. In addition to treating the reaction network as a dynamically evolving system, the Helgeson studies introduced an approach that allowed for the consideration of a multicomponent geochemical system, with multiple minerals and species appearing as both reactants and products, at least one of which could be
The Importance of Protons in Reactive Transport Modeling
McNeece, C. J.; Hesse, M. A.
2014-12-01
The importance of pH in aqueous chemistry is evident; yet, its role in reactive transport is complex. Consider a column flow experiment through silica glass beads. Take the column to be saturated and flowing with solution of a distinct pH. An instantaneous change in the influent solution pH can yield a breakthrough curve with both a rarefaction and shock component (composite wave). This behavior is unique among aqueous ions in transport and is more complex than intuition would tell. Analysis of the hyperbolic limit of this physical system can explain these first order transport phenomenon. This analysis shows that transport behavior is heavily dependent on the shape of the adsorption isotherm. Hence it is clear that accurate surface chemistry models are important in reactive transport. The proton adsorption isotherm has nonconstant concavity due to the proton's ability to partition into hydroxide. An eigenvalue analysis shows that an inflection point in the adsorption isotherm allows the development of composite waves. We use electrostatic surface complexation models to calculate realistic proton adsorption isotherms. Surface characteristics such as specific surface area, and surface site density were determined experimentally. We validate the model by comparison against silica glass bead flow through experiments. When coupled to surface complexation models, the transport equation captures the timing and behavior of breakthrough curves markedly better than with commonly used Langmuir assumptions. Furthermore, we use the adsorption isotherm to predict, a priori, the transport behavior of protons across pH composition space. Expansion of the model to multicomponent systems shows that proton adsorption can force composite waves to develop in the breakthrough curves of ions that would not otherwise exhibit such behavior. Given the abundance of reactive surfaces in nature and the nonlinearity of chemical systems, we conclude that building a greater understanding of
Parameters estimation for reactive transport: A way to test the validity of a reactive model
Aggarwal, Mohit; Cheikh Anta Ndiaye, Mame; Carrayrou, Jérôme
The chemical parameters used in reactive transport models are not known accurately due to the complexity and the heterogeneous conditions of a real domain. We will present an efficient algorithm in order to estimate the chemical parameters using Monte-Carlo method. Monte-Carlo methods are very robust for the optimisation of the highly non-linear mathematical model describing reactive transport. Reactive transport of tributyltin (TBT) through natural quartz sand at seven different pHs is taken as the test case. Our algorithm will be used to estimate the chemical parameters of the sorption of TBT onto the natural quartz sand. By testing and comparing three models of surface complexation, we show that the proposed adsorption model cannot explain the experimental data.
Multidimensional electron-photon transport with standard discrete ordinates codes
International Nuclear Information System (INIS)
Drumm, C.R.
1997-01-01
A method is described for generating electron cross sections that are comparable with standard discrete ordinates codes without modification. There are many advantages of using an established discrete ordinates solver, e.g. immediately available adjoint capability. Coupled electron-photon transport capability is needed for many applications, including the modeling of the response of electronics components to space and man-made radiation environments. The cross sections have been successfully used in the DORT, TWODANT and TORT discrete ordinates codes. The cross sections are shown to provide accurate and efficient solutions to certain multidimensional electron-photon transport problems. The key to the method is a simultaneous solution of the continuous-slowing-down (CSD) portion and elastic-scattering portion of the scattering source by the Goudsmit-Saunderson theory. The resulting multigroup-Legendre cross sections are much smaller than the true scattering cross sections that they represent. Under certain conditions, the cross sections are guaranteed positive and converge with a low-order Legendre expansion
Multidimensional electron-photon transport with standard discrete ordinates codes
International Nuclear Information System (INIS)
Drumm, C.R.
1997-01-01
A method is described for generating electron cross sections that are compatible with standard discrete ordinates codes without modification. There are many advantages to using an established discrete ordinates solver, e.g., immediately available adjoint capability. Coupled electron-photon transport capability is needed for many applications, including the modeling of the response of electronics components to space and synthetic radiation environments. The cross sections have been successfully used in the DORT, TWODANT, and TORT discrete ordinates codes. The cross sections are shown to provide accurate and efficient solutions to certain multidimensional electron-photon transport problems. The key to the method is a simultaneous solution of the continuous-slowing-down and elastic-scattering portions of the scattering source by the Goudsmit-Saunderson theory. The resulting multigroup-Legendre cross sections are much smaller than the true scattering cross sections that they represent. Under certain conditions, the cross sections are guaranteed positive and converge with a low-order Legendre expansion
Modeling of flow and reactive transport in IPARS
Wheeler, Mary Fanett
2012-03-11
In this work, we describe a number of efficient and locally conservative methods for subsurface flow and reactive transport that have been or are currently being implemented in the IPARS (Integrated Parallel and Accurate Reservoir Simulator). For flow problems, we consider discontinuous Galerkin (DG) methods and mortar mixed finite element methods. For transport problems, we employ discontinuous Galerkin methods and Godunov-mixed methods. For efficient treatment of reactive transport simulations, we present a number of state-of-the-art dynamic mesh adaptation strategies and implementations. Operator splitting approaches and iterative coupling techniques are also discussed. Finally, numerical examples are provided to illustrate the capability of IPARS to treat general biogeochemistry as well as the effectivity of mesh adaptations with DG for transport. © 2012 Bentham Science Publishers. All rights reserved.
Framework for reactive mass transport
DEFF Research Database (Denmark)
Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica
2014-01-01
Reactive transport modeling is applicable for a range of porous materials. Here the modeling framework is focused on cement-based materials, where ion diffusion and migration are described by the Poisson-Nernst-Planck equation system. A two phase vapor/liquid flow model, with a sorption hysteresis...... description is coupled to the system. The mass transport is solved by using the finite element method where the chemical equilibrium is solved explicitly by an operator splitting method. The IPHREEQC library is used as chemical equilibrium solver. The equation system, solved by IPHREEQC, is explained...
International Nuclear Information System (INIS)
Bareiss, E.H.
1977-08-01
The objectives of this research are to develop mathematically and computationally founded criteria for the design of highly efficient and reliable multidimensional neutron transport codes to solve a variety of neutron migration and radiation problems, and to analyze existing and new methods for performance
Investigation of multi-dimensional computational models for calculating pollutant transport
International Nuclear Information System (INIS)
Pepper, D.W.; Cooper, R.E.; Baker, A.J.
1980-01-01
A performance study of five numerical solution algorithms for multi-dimensional advection-diffusion prediction on mesoscale grids was made. Test problems include transport of point and distributed sources, and a simulation of a continuous source. In all cases, analytical solutions are available to assess relative accuracy. The particle-in-cell and second-moment algorithms, both of which employ sub-grid resolution coupled with Lagrangian advection, exhibit superior accuracy in modeling a point source release. For modeling of a distributed source, algorithms based upon the pseudospectral and finite element interpolation concepts, exhibit improved accuracy on practical discretizations
A mobile-mobile transport model for simulating reactive transport in connected heterogeneous fields
Lu, Chunhui; Wang, Zhiyuan; Zhao, Yue; Rathore, Saubhagya Singh; Huo, Jinge; Tang, Yuening; Liu, Ming; Gong, Rulan; Cirpka, Olaf A.; Luo, Jian
2018-05-01
Mobile-immobile transport models can be effective in reproducing heavily tailed breakthrough curves of concentration. However, such models may not adequately describe transport along multiple flow paths with intermediate velocity contrasts in connected fields. We propose using the mobile-mobile model for simulating subsurface flow and associated mixing-controlled reactive transport in connected fields. This model includes two local concentrations, one in the fast- and the other in the slow-flow domain, which predict both the concentration mean and variance. The normalized total concentration variance within the flux is found to be a non-monotonic function of the discharge ratio with a maximum concentration variance at intermediate values of the discharge ratio. We test the mobile-mobile model for mixing-controlled reactive transport with an instantaneous, irreversible bimolecular reaction in structured and connected random heterogeneous domains, and compare the performance of the mobile-mobile to the mobile-immobile model. The results indicate that the mobile-mobile model generally predicts the concentration breakthrough curves (BTCs) of the reactive compound better. Particularly, for cases of an elliptical inclusion with intermediate hydraulic-conductivity contrasts, where the travel-time distribution shows bimodal behavior, the prediction of both the BTCs and maximum product concentration is significantly improved. Our results exemplify that the conceptual model of two mobile domains with diffusive mass transfer in between is in general good for predicting mixing-controlled reactive transport, and particularly so in cases where the transfer in the low-conductivity zones is by slow advection rather than diffusion.
Nick, H.M.
2013-02-01
The reactive mixing between seawater and terrestrial water in coastal aquifers influences the water quality of submarine groundwater discharge. While these waters come into contact at the seawater groundwater interface by density driven flow, their chemical components dilute and react through dispersion. A larger interface and wider mixing zone may provide favorable conditions for the natural attenuation of contaminant plumes. It has been claimed that the extent of this mixing is controlled by both, porous media properties and flow conditions. In this study, the interplay between dispersion and reactive processes in coastal aquifers is investigated by means of numerical experiments. Particularly, the impact of dispersion coefficients, the velocity field induced by density driven flow and chemical component reactivities on reactive transport in such aquifers is studied. To do this, a hybrid finite-element finite-volume method and a reactive simulator are coupled, and model accuracy and applicability are assessed. A simple redox reaction is considered to describe the degradation of a contaminant which requires mixing of the contaminated groundwater and the seawater containing the terminal electron acceptor. The resulting degradation is observed for different scenarios considering different magnitudes of dispersion and chemical reactivity. Three reactive transport regimes are found: reaction controlled, reaction-dispersion controlled and dispersion controlled. Computational results suggest that the chemical components\\' reactivity as well as dispersion coefficients play a significant role on controlling reactive mixing zones and extent of contaminant removal in coastal aquifers. Further, our results confirm that the dilution index is a better alternative to the second central spatial moment of a plume to describe the mixing of reactive solutes in coastal aquifers. © 2012 Elsevier B.V.
International Nuclear Information System (INIS)
Huet, B.M.; Prevost, J.H.; Scherer, G.W.
2007-01-01
A modular reactive transport code is proposed to analyze the reactivity of cement in CO 2 saturated brine. The coupling of the transport module and the geochemical module within Dynaflow TM is derived. Both modules are coupled in a sequential iterative approach to accurately model: (1) mineral dissolution/precipitation and (2) porosity dependent transport properties. Results of the model reproduce qualitatively the dissolution of cement hydrates (C-H, C-S-H, AFm, AFt) and intermediate products (CaCO 3 ) into the brine. Slight discrepancies between modeling and experimental results were found concerning the dynamics of the mineral zoning. Results suggest that the power law relationship to model effective transport properties from porosity values is not accurate for very reactive case. (authors)
Soltanian, Mohamad Reza; Ritzi, Robert W; Dai, Zhenxue; Huang, Chao Cheng
2015-03-01
Physical and chemical heterogeneities have a large impact on reactive transport in porous media. Examples of heterogeneous attributes affecting reactive mass transport are the hydraulic conductivity (K), and the equilibrium sorption distribution coefficient (Kd). This paper uses the Deng et al. (2013) conceptual model for multimodal reactive mineral facies and a Lagrangian-based stochastic theory in order to analyze the reactive solute dispersion in three-dimensional anisotropic heterogeneous porous media with hierarchical organization of reactive minerals. An example based on real field data is used to illustrate the time evolution trends of reactive solute dispersion. The results show that the correlation between the hydraulic conductivity and the equilibrium sorption distribution coefficient does have a significant effect on reactive solute dispersion. The anisotropy ratio does not have a significant effect on reactive solute dispersion. Furthermore, through a sensitivity analysis we investigate the impact of changing the mean, variance, and integral scale of K and Kd on reactive solute dispersion. Copyright © 2014 Elsevier Ltd. All rights reserved.
Entropy-based critical reaction time for mixing-controlled reactive transport
DEFF Research Database (Denmark)
Chiogna, Gabriele; Rolle, Massimo
2017-01-01
Entropy-based metrics, such as the dilution index, have been proposed to quantify dilution and reactive mixing in solute transport problems. In this work, we derive the transient advection dispersion equation for the entropy density of a reactive plume. We restrict our analysis to the case where...... the concentration distribution of the transported species is Gaussian and we observe that, even in case of an instantaneous complete bimolecular reaction, dilution caused by dispersive processes dominates the entropy balance at early times and results in the net increase of the entropy density of a reactive species...
Using travel times to simulate multi-dimensional bioreactive transport in time-periodic flows.
Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A
2016-04-01
In travel-time models, the spatially explicit description of reactive transport is replaced by associating reactive-species concentrations with the travel time or groundwater age at all locations. These models have been shown adequate for reactive transport in river-bank filtration under steady-state flow conditions. Dynamic hydrological conditions, however, can lead to fluctuations of infiltration velocities, putting the validity of travel-time models into question. In transient flow, the local travel-time distributions change with time. We show that a modified version of travel-time based reactive transport models is valid if only the magnitude of the velocity fluctuates, whereas its spatial orientation remains constant. We simulate nonlinear, one-dimensional, bioreactive transport involving oxygen, nitrate, dissolved organic carbon, aerobic and denitrifying bacteria, considering periodic fluctuations of velocity. These fluctuations make the bioreactive system pulsate: The aerobic zone decreases at times of low velocity and increases at those of high velocity. For the case of diurnal fluctuations, the biomass concentrations cannot follow the hydrological fluctuations and a transition zone containing both aerobic and obligatory denitrifying bacteria is established, whereas a clear separation of the two types of bacteria prevails in the case of seasonal velocity fluctuations. We map the 1-D results to a heterogeneous, two-dimensional domain by means of the mean groundwater age for steady-state flow in both domains. The mapped results are compared to simulation results of spatially explicit, two-dimensional, advective-dispersive-bioreactive transport subject to the same relative fluctuations of velocity as in the one-dimensional model. The agreement between the mapped 1-D and the explicit 2-D results is excellent. We conclude that travel-time models of nonlinear bioreactive transport are adequate in systems of time-periodic flow if the flow direction does not change
Energy Technology Data Exchange (ETDEWEB)
Huet, B.M.; Prevost, J.H.; Scherer, G.W. [Princeton Univ., NJ (United States)
2007-07-01
A modular reactive transport code is proposed to analyze the reactivity of cement in CO{sub 2} saturated brine. The coupling of the transport module and the geochemical module within Dynaflow{sup TM} is derived. Both modules are coupled in a sequential iterative approach to accurately model: (1) mineral dissolution/precipitation and (2) porosity dependent transport properties. Results of the model reproduce qualitatively the dissolution of cement hydrates (C-H, C-S-H, AFm, AFt) and intermediate products (CaCO{sub 3}) into the brine. Slight discrepancies between modeling and experimental results were found concerning the dynamics of the mineral zoning. Results suggest that the power law relationship to model effective transport properties from porosity values is not accurate for very reactive case. (authors)
Reactive transport in a partially molten system with binary solid solution
Jordan, J.; Hesse, M. A.
2017-12-01
Melt extraction from the Earth's mantle through high-porosity channels is required to explain the composition of the oceanic crust. Feedbacks from reactive melt transport are thought to localize melt into a network of high-porosity channels. Recent studies invoke lithological heterogeneities in the Earth's mantle to seed the localization of partial melts. Therefore, it is necessary to understand the reaction fronts that form as melt flows across the lithological interface of a heterogeneity and the background mantle. Simplified melting models of such systems aide in the interpretation and formulation of larger scale mantle models. Motivated by the aforementioned facts, we present a chromatographic analysis of reactive melt transport across lithological boundaries, using theory for hyperbolic conservation laws. This is an extension of well-known linear trace element chromatography to the coupling of major elements and energy transport. Our analysis allows the prediction of the feedbacks that arise in reactive melt transport due to melting, freezing, dissolution and precipitation for frontal reactions. This study considers the simplified case of a rigid, partially molten porous medium with binary solid solution. As melt traverses a lithological contact-modeled as a Riemann problem-a rich set of features arise, including a reacted zone between an advancing reaction front and partial chemical preservation of the initial contact. Reactive instabilities observed in this study originate at the lithological interface rather than along a chemical gradient as in most studies of mantle dynamics. We present a regime diagram that predicts where reaction fronts become unstable, thereby allowing melt localization into high-porosity channels through reactive instabilities. After constructing the regime diagram, we test the one-dimensional hyperbolic theory against two-dimensional numerical experiments. The one-dimensional hyperbolic theory is sufficient for predicting the
The reactive transport benchmark proposed by GdR MoMaS: presentation and first results
Energy Technology Data Exchange (ETDEWEB)
Carrayrou, J. [Institut de Mecanique des Fluides et des Solides, UMR ULP-CNRS 7507, 67 - Strasbourg (France); Lagneau, V. [Ecole des Mines de Paris, Centre de Geosciences, 77 - Fontainebleau (France)
2007-07-01
We present here the actual context of reactive transport modelling and the major numerical challenges. GdR MoMaS proposes a benchmark on reactive transport. We present this benchmark and some results obtained on it by two reactive transport codes HYTEC and SPECY. (authors)
The reactive transport benchmark proposed by GdR MoMaS: presentation and first results
International Nuclear Information System (INIS)
Carrayrou, J.; Lagneau, V.
2007-01-01
We present here the actual context of reactive transport modelling and the major numerical challenges. GdR MoMaS proposes a benchmark on reactive transport. We present this benchmark and some results obtained on it by two reactive transport codes HYTEC and SPECY. (authors)
International Nuclear Information System (INIS)
Zabadal, J.; Vilhena, M.T.; Segatto, C.F.; Pazos, R.P.Ruben Panta.
2002-01-01
In this work we construct a closed-form solution for the multidimensional transport equation rewritten in integral form which is expressed in terms of a fractional derivative of the angular flux. We determine the unknown order of the fractional derivative comparing the kernel of the integral equation with the one of the Riemann-Liouville definition of fractional derivative. We report numerical simulations
Energy Technology Data Exchange (ETDEWEB)
Zabadal, J. E-mail: jorge.zabadal@ufrgs.br; Vilhena, M.T. E-mail: vilhena@mat.ufrgs.br; Segatto, C.F. E-mail: cynthia@mat.ufrgs.br; Pazos, R.P.Ruben Panta. E-mail: rpp@mat.pucrgs.br
2002-07-01
In this work we construct a closed-form solution for the multidimensional transport equation rewritten in integral form which is expressed in terms of a fractional derivative of the angular flux. We determine the unknown order of the fractional derivative comparing the kernel of the integral equation with the one of the Riemann-Liouville definition of fractional derivative. We report numerical simulations.
From conservative to reactive transport under diffusion-controlled conditions
Babey, Tristan; de Dreuzy, Jean-Raynald; Ginn, Timothy R.
2016-05-01
We assess the possibility to use conservative transport information, such as that contained in transit time distributions, breakthrough curves and tracer tests, to predict nonlinear fluid-rock interactions in fracture/matrix or mobile/immobile conditions. Reference simulated data are given by conservative and reactive transport simulations in several diffusive porosity structures differing by their topological organization. Reactions includes nonlinear kinetically controlled dissolution and desorption. Effective Multi-Rate Mass Transfer models (MRMT) are calibrated solely on conservative transport information without pore topology information and provide concentration distributions on which effective reaction rates are estimated. Reference simulated reaction rates and effective reaction rates evaluated by MRMT are compared, as well as characteristic desorption and dissolution times. Although not exactly equal, these indicators remain very close whatever the porous structure, differing at most by 0.6% and 10% for desorption and dissolution. At early times, this close agreement arises from the fine characterization of the diffusive porosity close to the mobile zone that controls fast mobile-diffusive exchanges. At intermediate to late times, concentration gradients are strongly reduced by diffusion, and reactivity can be captured by a very limited number of rates. We conclude that effective models calibrated solely on conservative transport information like MRMT can accurately estimate monocomponent kinetically controlled nonlinear fluid-rock interactions. Their relevance might extend to more advanced biogeochemical reactions because of the good characterization of conservative concentration distributions, even by parsimonious models (e.g., MRMT with 3-5 rates). We propose a methodology to estimate reactive transport from conservative transport in mobile-immobile conditions.
Simulations of reactive transport and precipitation with smoothed particle hydrodynamics
Tartakovsky, Alexandre M.; Meakin, Paul; Scheibe, Timothy D.; Eichler West, Rogene M.
2007-03-01
A numerical model based on smoothed particle hydrodynamics (SPH) was developed for reactive transport and mineral precipitation in fractured and porous materials. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier-Stokes flow and reactive transport including: (1) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that accurate solutions can be obtained for momentum dominated flows and; (2) complicated physical and chemical processes such as surface growth due to precipitation/dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid-fluid boundaries was compared with analytical solutions, Lattice Boltzmann [Q. Kang, D. Zhang, P. Lichtner, I. Tsimpanogiannis, Lattice Boltzmann model for crystal growth from supersaturated solution, Geophysical Research Letters, 31 (2004) L21604] simulations and diffusion limited aggregation (DLA) [P. Meakin, Fractals, scaling and far from equilibrium. Cambridge University Press, Cambridge, UK, 1998] model simulations. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with a complex geometry were simulated.
International Nuclear Information System (INIS)
Mueller, Bernhard
2009-01-01
In this thesis, we have presented the first multi-dimensional models of core-collapse supernovae that combine a detailed, up-to-date treatment of neutrino transport, the equation of state, and - in particular - general relativistic gravity. Building on the well-tested neutrino transport code VERTEX and the GR hydrodynamics code CoCoNuT, we developed and implemented a relativistic generalization of a ray-by-ray-plus method for energy-dependent neutrino transport. The result of these effort, the VERTEX-CoCoNuT code, also incorporates a number of improved numerical techniques that have not been used in the code components VERTEX and CoCoNuT before. In order to validate the VERTEX-CoCoNuT code, we conducted several test simulations in spherical symmetry, most notably a comparison with the one-dimensional relativistic supernova code AGILE-BOLTZTRAN and the Newtonian PROMETHEUSVERTEX code. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Mueller, Bernhard
2009-05-07
In this thesis, we have presented the first multi-dimensional models of core-collapse supernovae that combine a detailed, up-to-date treatment of neutrino transport, the equation of state, and - in particular - general relativistic gravity. Building on the well-tested neutrino transport code VERTEX and the GR hydrodynamics code CoCoNuT, we developed and implemented a relativistic generalization of a ray-by-ray-plus method for energy-dependent neutrino transport. The result of these effort, the VERTEX-CoCoNuT code, also incorporates a number of improved numerical techniques that have not been used in the code components VERTEX and CoCoNuT before. In order to validate the VERTEX-CoCoNuT code, we conducted several test simulations in spherical symmetry, most notably a comparison with the one-dimensional relativistic supernova code AGILE-BOLTZTRAN and the Newtonian PROMETHEUSVERTEX code. (orig.)
International Nuclear Information System (INIS)
Bareiss, E.H.
1976-05-01
The objectives of the work are to develop mathematically and computationally founded for the design of highly efficient and reliable multidimensional neutron transport codes to solve a variety of neutron migration and radiation problems, and to analyze existing and new methods for performance. As new analytical insights are gained, new numerical methods are developed and tested. Significant results obtained include implementation of the integer-preserving Gaussian elimination method (two-step method) in a CDC 6400 computer code, modes analysis for one-dimensional transport solutions, and a new method for solving the 1-T transport equation. Some of the work dealt with the interface and corner problem in diffusion theory
International Nuclear Information System (INIS)
Bareiss, E.H.
1975-01-01
The objectives of the research remain the same as outlined in the original proposal. They are in short as follows: Develop mathematically and computationally founded criteria for the design of highly efficient and reliable multi-dimensional neutron transport codes to solve a variety of neutron migration and radiation problems and analyze existing and new methods for performance. (U.S.)
A Reactive Transport Model for Marcellus Shale Weathering
Li, L.; Heidari, P.; Jin, L.; Williams, J.; Brantley, S.
2017-12-01
Shale formations account for 25% of the land surface globally. One of the most productive shale-gas formations is the Marcellus, a black shale that is rich in organic matter and pyrite. As a first step toward understanding how Marcellus shale interacts with water, we developed a reactive transport model to simulate shale weathering under ambient temperature and pressure conditions, constrained by soil chemistry and water data. The simulation was carried out for 10,000 years, assuming bedrock weathering and soil genesis began right after the last glacial maximum. Results indicate weathering was initiated by pyrite dissolution for the first 1,000 years, leading to low pH and enhanced dissolution of chlorite and precipitation of iron hydroxides. After pyrite depletion, chlorite dissolved slowly, primarily facilitated by the presence of CO2 and organic acids, forming vermiculite as a secondary mineral. A sensitivity analysis indicated that the most important controls on weathering include the presence of reactive gases (CO2 and O2), specific surface area, and flow velocity of infiltrating meteoric water. The soil chemistry and mineralogy data could not be reproduced without including the reactive gases. For example, pyrite remained in the soil even after 10,000 years if O2 was not continuously present in the soil column; likewise, chlorite remained abundant and porosity remained small with the presence of soil CO2. The field observations were only simulated successfully when the specific surface areas of the reactive minerals were 1-3 orders of magnitude smaller than surface area values measured for powdered minerals, reflecting the lack of accessibility of fluids to mineral surfaces and potential surface coating. An increase in the water infiltration rate enhanced weathering by removing dissolution products and maintaining far-from-equilibrium conditions. We conclude that availability of reactive surface area and transport of H2O and gases are the most important
Surrogate model approach for improving the performance of reactive transport simulations
Jatnieks, Janis; De Lucia, Marco; Sips, Mike; Dransch, Doris
2016-04-01
Reactive transport models can serve a large number of important geoscientific applications involving underground resources in industry and scientific research. It is common for simulation of reactive transport to consist of at least two coupled simulation models. First is a hydrodynamics simulator that is responsible for simulating the flow of groundwaters and transport of solutes. Hydrodynamics simulators are well established technology and can be very efficient. When hydrodynamics simulations are performed without coupled geochemistry, their spatial geometries can span millions of elements even when running on desktop workstations. Second is a geochemical simulation model that is coupled to the hydrodynamics simulator. Geochemical simulation models are much more computationally costly. This is a problem that makes reactive transport simulations spanning millions of spatial elements very difficult to achieve. To address this problem we propose to replace the coupled geochemical simulation model with a surrogate model. A surrogate is a statistical model created to include only the necessary subset of simulator complexity for a particular scenario. To demonstrate the viability of such an approach we tested it on a popular reactive transport benchmark problem that involves 1D Calcite transport. This is a published benchmark problem (Kolditz, 2012) for simulation models and for this reason we use it to test the surrogate model approach. To do this we tried a number of statistical models available through the caret and DiceEval packages for R, to be used as surrogate models. These were trained on randomly sampled subset of the input-output data from the geochemical simulation model used in the original reactive transport simulation. For validation we use the surrogate model to predict the simulator output using the part of sampled input data that was not used for training the statistical model. For this scenario we find that the multivariate adaptive regression splines
Phase behavior and reactive transport of partial melt in heterogeneous mantle model
Jordan, J.; Hesse, M. A.
2013-12-01
The reactive transport of partial melt is the key process that leads to the chemical and physical differentiation of terrestrial planets and smaller celestial bodies. The essential role of the lithological heterogeneities during partial melting of the mantle is increasingly recognized. How far can enriched melts propagate while interacting with the ambient mantle? Can the melt flow emanating from a fertile heterogeneity be localized through a reactive infiltration feedback in a model without exogenous factors or contrived initial conditions? A full understanding of the role of heterogeneities requires reactive melt transport models that account for the phase behavior of major elements. Previous work on reactive transport in the mantle focuses on trace element partitioning; we present the first nonlinear chromatographic analysis of reactive melt transport in systems with binary solid solution. Our analysis shows that reactive melt transport in systems with binary solid solution leads to the formation of two separate reaction fronts: a slow melting/freezing front along which enthalpy change is dominant and a fast dissolution/precipitation front along which compositional changes are dominated by an ion-exchange process over enthalpy change. An intermediate state forms between these two fronts with a bulk-rock composition and enthalpy that are not necessarily bounded by the bulk-rock composition and enthalpy of either the enriched heterogeneity or the depleted ambient mantle. The formation of this intermediate state makes it difficult to anticipate the porosity changes and hence the stability of reaction fronts. Therefore, we develop a graphical representation for the solution that allows identification of the intermediate state by inspection, for all possible bulk-rock compositions and enthalpies of the heterogeneity and the ambient mantle. We apply the analysis to the partial melting of an enriched heterogeneity. This leads to the formation of moving precipitation
Modeling of flow and reactive transport in IPARS
Wheeler, Mary Fanett; Sun, Shuyu; Thomas, Sunil G.
2012-01-01
In this work, we describe a number of efficient and locally conservative methods for subsurface flow and reactive transport that have been or are currently being implemented in the IPARS (Integrated Parallel and Accurate Reservoir Simulator
Development of numerical methods for reactive transport
International Nuclear Information System (INIS)
Bouillard, N.
2006-12-01
When a radioactive waste is stored in deep geological disposals, it is expected that the waste package will be damaged under water action (concrete leaching, iron corrosion). Then, to understand these damaging processes, chemical reactions and solutes transport are modelled. Numerical simulations of reactive transport can be done sequentially by the coupling of several codes. This is the case of the software platform ALLIANCES which is developed jointly with CEA, ANDRA and EDF. Stiff reactions like precipitation-dissolution are crucial for the radioactive waste storage applications, but standard sequential iterative approaches like Picard's fail in solving rapidly reactive transport simulations with such stiff reactions. In the first part of this work, we focus on a simplified precipitation and dissolution process: a system made up with one solid species and two aqueous species moving by diffusion is studied mathematically. It is assumed that a precipitation dissolution reaction occurs in between them, and it is modelled by a discontinuous kinetics law of unknown sign. By using monotonicity properties, the convergence of a finite volume scheme on admissible mesh is proved. Existence of a weak solution is obtained as a by-product of the convergence of the scheme. The second part is dedicated to coupling algorithms which improve Picard's method and can be easily used in an existing coupling code. By extending previous works, we propose a general and adaptable framework to solve nonlinear systems. Indeed by selecting special options, we can either recover well known methods, like nonlinear conjugate gradient methods, or design specific method. This algorithm has two main steps, a preconditioning one and an acceleration one. This algorithm is tested on several examples, some of them being rather academical and others being more realistic. We test it on the 'three species model'' example. Other reactive transport simulations use an external chemical code CHESS. For a
Coupled hydrogeological and reactive transport modelling of the Simpevarp area (Sweden)
International Nuclear Information System (INIS)
Molinero, Jorge; Raposo, Juan R.; Galindez, Juan M.; Arcos, David; Guimera, Jordi
2008-01-01
The Simpevarp area is one of the alternative sites being considered for the deep geological disposal of high level radioactive waste in Sweden. In this paper, a coupled regional groundwater flow and reactive solute transport model of the Simpevarp area is presented that integrates current hydrogeological and hydrochemical data of the area. The model simulates the current hydrochemical pattern of the groundwater system in the area. To that aim, a conceptual hydrochemical model was developed in order to represent the dominant chemical processes. Groundwater flow conditions were reproduced by taking into account fluid-density-dependent groundwater flow and regional hydrogeologic boundary conditions. Reactive solute transport calculations were performed on the basis of the velocity field so obtained. The model was calibrated and sensitivity analyses were carried out in order to investigate the effects of heterogeneities of hydraulic conductivity in the subsurface medium. Results provided by the reactive transport model are in good agreement with much of the measured hydrochemical data. This paper emphasizes the appropriateness of the use of reactive solute transport models when water-rock interaction reactions are involved, and demonstrates what powerful tools they are for the interpretation of hydrogeological and hydrochemical data from site geological repository characterization programs, by providing a qualitative framework for data analysis and testing of conceptual assumptions in a process-oriented approach
A reactive transport model for Marcellus shale weathering
Heidari, Peyman; Li, Li; Jin, Lixin; Williams, Jennifer Z.; Brantley, Susan L.
2017-11-01
Shale formations account for 25% of the land surface globally and contribute a large proportion of the natural gas used in the United States. One of the most productive shale-gas formations is the Marcellus, a black shale that is rich in organic matter and pyrite. As a first step toward understanding how Marcellus shale interacts with water in the surface or deep subsurface, we developed a reactive transport model to simulate shale weathering under ambient temperature and pressure conditions, constrained by soil and water chemistry data. The simulation was carried out for 10,000 years since deglaciation, assuming bedrock weathering and soil genesis began after the last glacial maximum. Results indicate weathering was initiated by pyrite dissolution for the first 1000 years, leading to low pH and enhanced dissolution of chlorite and precipitation of iron hydroxides. After pyrite depletion, chlorite dissolved slowly, primarily facilitated by the presence of CO2 and organic acids, forming vermiculite as a secondary mineral. A sensitivity analysis indicated that the most important controls on weathering include the presence of reactive gases (CO2 and O2), specific surface area, and flow velocity of infiltrating meteoric water. The soil chemistry and mineralogy data could not be reproduced without including the reactive gases. For example, pyrite remained in the soil even after 10,000 years if O2 was not continuously present in the soil column; likewise, chlorite remained abundant and porosity remained small if CO2 was not present in the soil gas. The field observations were only simulated successfully when the modeled specific surface areas of the reactive minerals were 1-3 orders of magnitude smaller than surface area values measured for powdered minerals. Small surface areas could be consistent with the lack of accessibility of some fluids to mineral surfaces due to surface coatings. In addition, some mineral surface is likely interacting only with equilibrated pore
Multi-dimensional Code Development for Safety Analysis of LMR
International Nuclear Information System (INIS)
Ha, K. S.; Jeong, H. Y.; Kwon, Y. M.; Lee, Y. B.
2006-08-01
A liquid metal reactor loaded a metallic fuel has the inherent safety mechanism due to the several negative reactivity feedback. Although this feature demonstrated through experiments in the EBR-II, any of the computer programs until now did not exactly analyze it because of the complexity of the reactivity feedback mechanism. A multi-dimensional detail program was developed through the International Nuclear Energy Research Initiative(INERI) from 2003 to 2005. This report includes the numerical coupling the multi-dimensional program and SSC-K code which is used to the safety analysis of liquid metal reactors in KAERI. The coupled code has been proved by comparing the analysis results using the code with the results using SAS-SASSYS code of ANL for the UTOP, ULOF, and ULOHS applied to the safety analysis for KALIMER-150
International Nuclear Information System (INIS)
Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M.; Watson, David B.
2007-01-01
This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M. partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M. species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions
Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B
2007-06-16
This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.
MoMaS reactive transport benchmark using PFLOTRAN
Park, H.
2017-12-01
MoMaS benchmark was developed to enhance numerical simulation capability for reactive transport modeling in porous media. The benchmark was published in late September of 2009; it is not taken from a real chemical system, but realistic and numerically challenging tests. PFLOTRAN is a state-of-art massively parallel subsurface flow and reactive transport code that is being used in multiple nuclear waste repository projects at Sandia National Laboratories including Waste Isolation Pilot Plant and Used Fuel Disposition. MoMaS benchmark has three independent tests with easy, medium, and hard chemical complexity. This paper demonstrates how PFLOTRAN is applied to this benchmark exercise and shows results of the easy benchmark test case which includes mixing of aqueous components and surface complexation. Surface complexations consist of monodentate and bidentate reactions which introduces difficulty in defining selectivity coefficient if the reaction applies to a bulk reference volume. The selectivity coefficient becomes porosity dependent for bidentate reaction in heterogeneous porous media. The benchmark is solved by PFLOTRAN with minimal modification to address the issue and unit conversions were made properly to suit PFLOTRAN.
TWO-DIMENSIONAL CORE-COLLAPSE SUPERNOVA MODELS WITH MULTI-DIMENSIONAL TRANSPORT
International Nuclear Information System (INIS)
Dolence, Joshua C.; Burrows, Adam; Zhang, Weiqun
2015-01-01
We present new two-dimensional (2D) axisymmetric neutrino radiation/hydrodynamic models of core-collapse supernova (CCSN) cores. We use the CASTRO code, which incorporates truly multi-dimensional, multi-group, flux-limited diffusion (MGFLD) neutrino transport, including all relevant O(v/c) terms. Our main motivation for carrying out this study is to compare with recent 2D models produced by other groups who have obtained explosions for some progenitor stars and with recent 2D VULCAN results that did not incorporate O(v/c) terms. We follow the evolution of 12, 15, 20, and 25 solar-mass progenitors to approximately 600 ms after bounce and do not obtain an explosion in any of these models. Though the reason for the qualitative disagreement among the groups engaged in CCSN modeling remains unclear, we speculate that the simplifying ''ray-by-ray'' approach employed by all other groups may be compromising their results. We show that ''ray-by-ray'' calculations greatly exaggerate the angular and temporal variations of the neutrino fluxes, which we argue are better captured by our multi-dimensional MGFLD approach. On the other hand, our 2D models also make approximations, making it difficult to draw definitive conclusions concerning the root of the differences between groups. We discuss some of the diagnostics often employed in the analyses of CCSN simulations and highlight the intimate relationship between the various explosion conditions that have been proposed. Finally, we explore the ingredients that may be missing in current calculations that may be important in reproducing the properties of the average CCSNe, should the delayed neutrino-heating mechanism be the correct mechanism of explosion
Simulation of reactive geochemical transport in groundwater using a semi-analytical screening model
McNab, Walt W.
1997-10-01
A reactive geochemical transport model, based on a semi-analytical solution to the advective-dispersive transport equation in two dimensions, is developed as a screening tool for evaluating the impact of reactive contaminants on aquifer hydrogeochemistry. Because the model utilizes an analytical solution to the transport equation, it is less computationally intensive than models based on numerical transport schemes, is faster, and it is not subject to numerical dispersion effects. Although the assumptions used to construct the model preclude consideration of reactions between the aqueous and solid phases, thermodynamic mineral saturation indices are calculated to provide qualitative insight into such reactions. Test problems involving acid mine drainage and hydrocarbon biodegradation signatures illustrate the utility of the model in simulating essential hydrogeochemical phenomena.
Reactive solute transport in acidic streams
Broshears, R.E.
1996-01-01
Spatial and temporal profiles of Ph and concentrations of toxic metals in streams affected by acid mine drainage are the result of the interplay of physical and biogeochemical processes. This paper describes a reactive solute transport model that provides a physically and thermodynamically quantitative interpretation of these profiles. The model combines a transport module that includes advection-dispersion and transient storage with a geochemical speciation module based on MINTEQA2. Input to the model includes stream hydrologic properties derived from tracer-dilution experiments, headwater and lateral inflow concentrations analyzed in field samples, and a thermodynamic database. Simulations reproduced the general features of steady-state patterns of observed pH and concentrations of aluminum and sulfate in St. Kevin Gulch, an acid mine drainage stream near Leadville, Colorado. These patterns were altered temporarily by injection of sodium carbonate into the stream. A transient simulation reproduced the observed effects of the base injection.
Jacques, Diederik
2017-04-01
As soil functions are governed by a multitude of interacting hydrological, geochemical and biological processes, simulation tools coupling mathematical models for interacting processes are needed. Coupled reactive transport models are a typical example of such coupled tools mainly focusing on hydrological and geochemical coupling (see e.g. Steefel et al., 2015). Mathematical and numerical complexity for both the tool itself or of the specific conceptual model can increase rapidly. Therefore, numerical verification of such type of models is a prerequisite for guaranteeing reliability and confidence and qualifying simulation tools and approaches for any further model application. In 2011, a first SeSBench -Subsurface Environmental Simulation Benchmarking- workshop was held in Berkeley (USA) followed by four other ones. The objective is to benchmark subsurface environmental simulation models and methods with a current focus on reactive transport processes. The final outcome was a special issue in Computational Geosciences (2015, issue 3 - Reactive transport benchmarks for subsurface environmental simulation) with a collection of 11 benchmarks. Benchmarks, proposed by the participants of the workshops, should be relevant for environmental or geo-engineering applications; the latter were mostly related to radioactive waste disposal issues - excluding benchmarks defined for pure mathematical reasons. Another important feature is the tiered approach within a benchmark with the definition of a single principle problem and different sub problems. The latter typically benchmarked individual or simplified processes (e.g. inert solute transport, simplified geochemical conceptual model) or geometries (e.g. batch or one-dimensional, homogeneous). Finally, three codes should be involved into a benchmark. The SeSBench initiative contributes to confidence building for applying reactive transport codes. Furthermore, it illustrates the use of those type of models for different
International Nuclear Information System (INIS)
Viswanathan, H.S.
1995-01-01
The finite element code FEHMN is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developed hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent K d model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport models for highly reactive chemical species. A fully kinetic formulation is chosen for the FEHMN reactive transport model. Several methods are available to computationally implement a fully kinetic formulation. Different numerical algorithms are investigated in order to optimize computational efficiency and memory requirements of the reactive transport model. The best algorithm of those investigated is then incorporated into FEHMN. The algorithm chosen requires for the user to place strongly coupled species into groups which are then solved for simultaneously using FEHMN. The complete reactive transport model is verified over a wide variety of problems and is shown to be working properly. The simulations demonstrate that gas flow and carbonate chemistry can significantly affect 14 C transport at Yucca Mountain. The simulations also provide that the new capabilities of FEHMN can be used to refine and buttress already existing Yucca Mountain radionuclide transport studies
Reactive solute transport in an asymmetrical fracture-rock matrix system
Zhou, Renjie; Zhan, Hongbin
2018-02-01
The understanding of reactive solute transport in a single fracture-rock matrix system is the foundation of studying transport behavior in the complex fractured porous media. When transport properties are asymmetrically distributed in the adjacent rock matrixes, reactive solute transport has to be considered as a coupled three-domain problem, which is more complex than the symmetric case with identical transport properties in the adjacent rock matrixes. This study deals with the transport problem in a single fracture-rock matrix system with asymmetrical distribution of transport properties in the rock matrixes. Mathematical models are developed for such a problem under the first-type and the third-type boundary conditions to analyze the spatio-temporal concentration and mass distribution in the fracture and rock matrix with the help of Laplace transform technique and de Hoog numerical inverse Laplace algorithm. The newly acquired solutions are then tested extensively against previous analytical and numerical solutions and are proven to be robust and accurate. Furthermore, a water flushing phase is imposed on the left boundary of system after a certain time. The diffusive mass exchange along the fracture/rock matrixes interfaces and the relative masses stored in each of three domains (fracture, upper rock matrix, and lower rock matrix) after the water flushing provide great insights of transport with asymmetric distribution of transport properties. This study has the following findings: 1) Asymmetric distribution of transport properties imposes greater controls on solute transport in the rock matrixes. However, transport in the fracture is mildly influenced. 2) The mass stored in the fracture responses quickly to water flushing, while the mass stored in the rock matrix is much less sensitive to the water flushing. 3) The diffusive mass exchange during the water flushing phase has similar patterns under symmetric and asymmetric cases. 4) The characteristic distance
FASTREACT – An efficient numerical framework for the solution of reactive transport problems
International Nuclear Information System (INIS)
Trinchero, Paolo; Molinero, Jorge; Román-Ross, Gabriela; Berglund, Sten; Selroos, Jan-Olof
2014-01-01
Highlights: • We present a tool for the efficient solution of reactive transport problems. • The tool is used to simulate radionuclide transport in a two-dimensional medium. • The results are successfully compared with those obtained using an Eulerian approach. • A large-scale application example is also solved. • The results show that the proposed tool can efficiently solve large-scale models. - Abstract: In the framework of safety assessment studies for geological disposal, large scale reactive transport models are powerful inter-disciplinary tools aiming at supporting regulatory decision making as well as providing input to repository engineering activities. Important aspects of these kinds of models are their often very large temporal and spatial modelling scales and the need to integrate different non-linear processes (e.g., mineral dissolution and precipitation, adsorption and desorption, microbial reactions and redox transformations). It turns out that these types of models may be computationally highly demanding. In this work, we present a Lagrangian-based framework, denoted as FASTREACT, that aims at solving multi-component-reactive transport problems with a computationally efficient approach allowing complex modelling problems to be solved in large spatial and temporal scales. The tool has been applied to simulate radionuclide migration in a synthetic heterogeneous transmissivity field and the results have been successfully compared with those obtained using a standard Eulerian approach. Finally, the same geochemical model has been coupled to an ensemble of realistic three-dimensional transport pathways to simulate the migration of a set of radionuclides from a hypothetical repository for spent nuclear fuel to the surface. The results of this modelling exercise, which includes key processes such as the exchange of mass between the conductive fractures and the matrix, show that FASTREACT can efficiently solve large-scale reactive transport models
International Nuclear Information System (INIS)
Haeberlein, F.
2011-01-01
Reactive transport modelling is a basic tool to model chemical reactions and flow processes in porous media. A totally reduced multi-species reactive transport model including kinetic and equilibrium reactions is presented. A structured numerical formulation is developed and different numerical approaches are proposed. Domain decomposition methods offer the possibility to split large problems into smaller subproblems that can be treated in parallel. The class of Schwarz-type domain decomposition methods that have proved to be high-performing algorithms in many fields of applications is presented with a special emphasis on the geometrical viewpoint. Numerical issues for the realisation of geometrical domain decomposition methods and transmission conditions in the context of finite volumes are discussed. We propose and validate numerically a hybrid finite volume scheme for advection-diffusion processes that is particularly well-suited for the use in a domain decomposition context. Optimised Schwarz waveform relaxation methods are studied in detail on a theoretical and numerical level for a two species coupled reactive transport system with linear and nonlinear coupling terms. Well-posedness and convergence results are developed and the influence of the coupling term on the convergence behaviour of the Schwarz algorithm is studied. Finally, we apply a Schwarz waveform relaxation method on the presented multi-species reactive transport system. (author)
Flux and reactive contributions to electron transport in methane
International Nuclear Information System (INIS)
Ness, K.F.; Nolan, A.M.
2000-01-01
A previously developed theoretical analysis (Nolan et al. 1997) is applied to the study of electron transport in methane for reduced electric fields in the range 1 to 1000 Td. The technique of analysis identifies the flux and reactive components of the measurable transport, without resort to the two-term approximation. A comparison of the results of the Monte Carlo method with those of a multiterm Boltzmann equation analysis (Ness and Robson 1986) shows good agreement. The sensitivity of the modelled electron transport to post-ionisation energy partitioning is studied by comparison of three ionisation energy partitioning regimes at moderate (300 Td) and high (1000 Td) values of the reduced electric field. Copyright (2000) CSIRO Australia
Abiotic/biotic coupling in the rhizosphere: a reactive transport modeling analysis
Lawrence, Corey R.; Steefel, Carl; Maher, Kate
2014-01-01
A new generation of models is needed to adequately simulate patterns of soil biogeochemical cycling in response changing global environmental drivers. For example, predicting the influence of climate change on soil organic matter storage and stability requires models capable of addressing complex biotic/abiotic interactions of rhizosphere and weathering processes. Reactive transport modeling provides a powerful framework simulating these interactions and the resulting influence on soil physical and chemical characteristics. Incorporation of organic reactions in an existing reactive transport model framework has yielded novel insights into soil weathering and development but much more work is required to adequately capture root and microbial dynamics in the rhizosphere. This endeavor provides many advantages over traditional soil biogeochemical models but also many challenges.
Inverse modeling of multicomponent reactive transport through single and dual porosity media
Samper, Javier; Zheng, Liange; Fernández, Ana María; Montenegro, Luis
2008-06-01
Compacted bentonite is foreseen as buffer material for high-level radioactive waste in deep geological repositories because it provides hydraulic isolation, chemical stability, and radionuclide sorption. A wide range of laboratory tests were performed within the framework of FEBEX ( Full-scale Engineered Barrier EXperiment) project to characterize buffer properties and develop numerical models for FEBEX bentonite. Here we present inverse single and dual-continuum multicomponent reactive transport models of a long-term permeation test performed on a 2.5 cm long sample of FEBEX bentonite. Initial saline bentonite porewater was flushed with 5.5 pore volumes of fresh granitic water. Water flux and chemical composition of effluent waters were monitored during almost 4 years. The model accounts for solute advection and diffusion and geochemical reactions such as aqueous complexation, acid-base, cation exchange, protonation/deprotonation by surface complexation and dissolution/precipitation of calcite, chalcedony and gypsum. All of these processes are assumed at local equilibrium. Similar to previous studies of bentonite porewater chemistry on batch systems which attest the relevance of protonation/deprotonation on buffering pH, our results confirm that protonation/deprotonation is a key process in maintaining a stable pH under dynamic transport conditions. Breakthrough curves of reactive species are more sensitive to initial porewater concentration than to effective diffusion coefficient. Optimum estimates of initial porewater chemistry of saturated compacted FEBEX bentonite are obtained by solving the inverse problem of multicomponent reactive transport. While the single-continuum model reproduces the trends of measured data for most chemical species, it fails to match properly the long tails of most breakthrough curves. Such limitation is overcome by resorting to a dual-continuum reactive transport model.
End-Member Formulation of Solid Solutions and Reactive Transport
Energy Technology Data Exchange (ETDEWEB)
Lichtner, Peter C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2015-09-01
A model for incorporating solid solutions into reactive transport equations is presented based on an end-member representation. Reactive transport equations are solved directly for the composition and bulk concentration of the solid solution. Reactions of a solid solution with an aqueous solution are formulated in terms of an overall stoichiometric reaction corresponding to a time-varying composition and exchange reactions, equivalent to reaction end-members. Reaction rates are treated kinetically using a transition state rate law for the overall reaction and a pseudo-kinetic rate law for exchange reactions. The composition of the solid solution at the onset of precipitation is assumed to correspond to the least soluble composition, equivalent to the composition at equilibrium. The stoichiometric saturation determines if the solid solution is super-saturated with respect to the aqueous solution. The method is implemented for a simple prototype batch reactor using Mathematica for a binary solid solution. Finally, the sensitivity of the results on the kinetic rate constant for a binary solid solution is investigated for reaction of an initially stoichiometric solid phase with an undersaturated aqueous solution.
Bailey, Ryan T.; Morway, Eric D.; Niswonger, Richard G.; Gates, Timothy K.
2013-01-01
A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated-Zone Flow (UZF1) package and MODFLOW. Referred to as UZF-RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS-1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one-dimensional, two-dimensional, and three-dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF-RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run-time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic-wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF-RT3D can be used for large-scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary-pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run-time and the ability to include site-specific chemical species and chemical reactions make UZF-RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large-scale subsurface systems.
Code Coupling for Multi-Dimensional Core Transient Analysis
International Nuclear Information System (INIS)
Park, Jin-Woo; Park, Guen-Tae; Park, Min-Ho; Ryu, Seok-Hee; Um, Kil-Sup; Lee Jae-Il
2015-01-01
After the CEA ejection, the nuclear power of the reactor dramatically increases in an exponential behavior until the Doppler effect becomes important and turns the reactivity balance and power down to lower levels. Although this happens in a very short period of time, only few seconds, the energy generated can be very significant and cause fuel failures. The current safety analysis methodology which is based on overly conservative assumptions with the point kinetics model results in quite adverse consequences. Thus, KEPCO Nuclear Fuel(KNF) is developing the multi-dimensional safety analysis methodology to mitigate the consequences of the single CEA ejection accident. For this purpose, three-dimensional core neutron kinetics code ASTRA, sub-channel analysis code THALES, and fuel performance analysis code FROST, which have transient calculation performance, were coupled using message passing interface (MPI). This paper presents the methodology used for code coupling and the preliminary simulation results with the coupled code system (CHASER). Multi-dimensional core transient analysis code system, CHASER, has been developed and it was applied to simulate a single CEA ejection accident. CHASER gave a good prediction of multi-dimensional core transient behaviors during transient. In the near future, the multi-dimension CEA ejection analysis methodology using CHASER is planning to be developed. CHASER is expected to be a useful tool to gain safety margin for reactivity initiated accidents (RIAs), such as a single CEA ejection accident
Code Coupling for Multi-Dimensional Core Transient Analysis
Energy Technology Data Exchange (ETDEWEB)
Park, Jin-Woo; Park, Guen-Tae; Park, Min-Ho; Ryu, Seok-Hee; Um, Kil-Sup; Lee Jae-Il [KEPCO NF, Daejeon (Korea, Republic of)
2015-05-15
After the CEA ejection, the nuclear power of the reactor dramatically increases in an exponential behavior until the Doppler effect becomes important and turns the reactivity balance and power down to lower levels. Although this happens in a very short period of time, only few seconds, the energy generated can be very significant and cause fuel failures. The current safety analysis methodology which is based on overly conservative assumptions with the point kinetics model results in quite adverse consequences. Thus, KEPCO Nuclear Fuel(KNF) is developing the multi-dimensional safety analysis methodology to mitigate the consequences of the single CEA ejection accident. For this purpose, three-dimensional core neutron kinetics code ASTRA, sub-channel analysis code THALES, and fuel performance analysis code FROST, which have transient calculation performance, were coupled using message passing interface (MPI). This paper presents the methodology used for code coupling and the preliminary simulation results with the coupled code system (CHASER). Multi-dimensional core transient analysis code system, CHASER, has been developed and it was applied to simulate a single CEA ejection accident. CHASER gave a good prediction of multi-dimensional core transient behaviors during transient. In the near future, the multi-dimension CEA ejection analysis methodology using CHASER is planning to be developed. CHASER is expected to be a useful tool to gain safety margin for reactivity initiated accidents (RIAs), such as a single CEA ejection accident.
International Nuclear Information System (INIS)
Viswanathan, H.S.
1996-08-01
The finite element code FEHMN, developed by scientists at Los Alamos National Laboratory (LANL), is a three-dimensional finite element heat and mass transport simulator that can handle complex stratigraphy and nonlinear processes such as vadose zone flow, heat flow and solute transport. Scientists at LANL have been developing hydrologic flow and transport models of the Yucca Mountain site using FEHMN. Previous FEHMN simulations have used an equivalent Kd model to model solute transport. In this thesis, FEHMN is modified making it possible to simulate the transport of a species with a rigorous chemical model. Including the rigorous chemical equations into FEHMN simulations should provide for more representative transport models for highly reactive chemical species. A fully kinetic formulation is chosen for the FEHMN reactive transport model. Several methods are available to computationally implement a fully kinetic formulation. Different numerical algorithms are investigated in order to optimize computational efficiency and memory requirements of the reactive transport model. The best algorithm of those investigated is then incorporated into FEHMN. The algorithm chosen requires for the user to place strongly coupled species into groups which are then solved for simultaneously using FEHMN. The complete reactive transport model is verified over a wide variety of problems and is shown to be working properly. The new chemical capabilities of FEHMN are illustrated by using Los Alamos National Laboratory's site scale model of Yucca Mountain to model two-dimensional, vadose zone 14 C transport. The simulations demonstrate that gas flow and carbonate chemistry can significantly affect 14 C transport at Yucca Mountain. The simulations also prove that the new capabilities of FEHMN can be used to refine and buttress already existing Yucca Mountain radionuclide transport studies
Cirpka, O. A.; Loschko, M.; Wöhling, T.; Rudolph, D. L.
2017-12-01
Excess nitrate concentrations pose a threat to drinking-water production from groundwater in all regions of intensive agriculture worldwide. Natural organic matter, pyrite, and other reduced constituents of the aquifer matrix can be oxidized by aerobic and denitrifying bacteria, leading to self-cleaning of groundwater. Various studies have shown that the heterogeneity of both hydraulic and chemical aquifer properties influence the reactive behavior. Since the exact spatial distributions of these properties are not known, predictions on the temporal evolution of nitrate should be probabilistic. However, the computational effort of pde-based, spatially explicit multi-component reactive-transport simulations are so high that multiple model runs become impossible. Conversely, simplistic models that treat denitrification as first-order decay process miss important controls on denitrification. We have proposed a Lagrangian framework of nonlinear reactive transport, in which the electron-donor supply by the aquifer matrix is parameterized by a relative reactivity, that is the reaction rate relative to a standard reaction rate for identical solute concentrations (Loschko et al., 2016). We could show that reactive transport simplifies to solving a single ordinary dfferential equation in terms of the cumulative relative reactivity for a given combination of inflow concentrations. Simulating 3-D flow and reactive transport are computationally so inexpensive that Monte Carlo simulation become feasible. The original scheme did not consider a change of the relative reactivity over time, implying that the electron-donor pool in the matrix is infinite. We have modified the scheme to address the consumption of the reducing aquifer constituents upon the reactions. We also analyzed how a minimally complex model of aerobic respiration and denitrification could look like. With the revised scheme, we performed Monte Carlo simulations in 3-D domains, confirming that the uncertainty in
Reactive Transport in a Pipe in Soluble Rock: a Theoretical and Experimental Study
Li, W.; Opolot, M.; Sousa, R.; Einstein, H. H.
2015-12-01
Reactive transport processes within the dominant underground flow pathways such as fractures can lead to the widening or narrowing of rock fractures, potentially altering the flow and transport processes in the fractures. A flow-through experiment was designed to study the reactive transport process in a pipe in soluble rock to serve as a simplified representation of a fracture in soluble rock. Assumptions were made to formulate the problem as three coupled, one-dimensional partial differential equations: one for the flow, one for the transport and one for the radius change due to dissolution. Analytical and numerical solutions were developed to predict the effluent concentration and the change in pipe radius. The positive feedback of the radius increase is captured by the experiment and the numerical model. A comparison between the experiment and the simulation results demonstrates the validity of the analytical and numerical models.
Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.
2013-01-01
A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the
On the validity of travel-time based nonlinear bioreactive transport models in steady-state flow.
Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A
2015-01-01
Travel-time based models simplify the description of reactive transport by replacing the spatial coordinates with the groundwater travel time, posing a quasi one-dimensional (1-D) problem and potentially rendering the determination of multidimensional parameter fields unnecessary. While the approach is exact for strictly advective transport in steady-state flow if the reactive properties of the porous medium are uniform, its validity is unclear when local-scale mixing affects the reactive behavior. We compare a two-dimensional (2-D), spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ in the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. The reactive system considers biodegradation of dissolved organic carbon, which is introduced into a hydraulically heterogeneous domain together with oxygen and nitrate. Aerobic and denitrifying bacteria use the energy of the microbial transformations for growth. We analyze six scenarios differing in the variance of log-hydraulic conductivity and in the inflow boundary conditions (constant versus time-varying concentration). The concentrations of the 1-D models are mapped to the 2-D domain by means of the kinematic (for case i), and mean groundwater age (for cases ii & iii), respectively. The comparison between concentrations of the "virtual truth" and the 1-D approaches indicates extremely good agreement when using an effective, linearly increasing longitudinal dispersivity in the majority of the scenarios, while the other two 1-D approaches reproduce at least the concentration tendencies well. At late times, all 1-D models give valid approximations of two-dimensional transport. We conclude that the
Energy Technology Data Exchange (ETDEWEB)
Bouillard, N
2006-12-15
When a radioactive waste is stored in deep geological disposals, it is expected that the waste package will be damaged under water action (concrete leaching, iron corrosion). Then, to understand these damaging processes, chemical reactions and solutes transport are modelled. Numerical simulations of reactive transport can be done sequentially by the coupling of several codes. This is the case of the software platform ALLIANCES which is developed jointly with CEA, ANDRA and EDF. Stiff reactions like precipitation-dissolution are crucial for the radioactive waste storage applications, but standard sequential iterative approaches like Picard's fail in solving rapidly reactive transport simulations with such stiff reactions. In the first part of this work, we focus on a simplified precipitation and dissolution process: a system made up with one solid species and two aqueous species moving by diffusion is studied mathematically. It is assumed that a precipitation dissolution reaction occurs in between them, and it is modelled by a discontinuous kinetics law of unknown sign. By using monotonicity properties, the convergence of a finite volume scheme on admissible mesh is proved. Existence of a weak solution is obtained as a by-product of the convergence of the scheme. The second part is dedicated to coupling algorithms which improve Picard's method and can be easily used in an existing coupling code. By extending previous works, we propose a general and adaptable framework to solve nonlinear systems. Indeed by selecting special options, we can either recover well known methods, like nonlinear conjugate gradient methods, or design specific method. This algorithm has two main steps, a preconditioning one and an acceleration one. This algorithm is tested on several examples, some of them being rather academical and others being more realistic. We test it on the 'three species model'' example. Other reactive transport simulations use an external
Energy Technology Data Exchange (ETDEWEB)
Bouillard, N
2006-12-15
When a radioactive waste is stored in deep geological disposals, it is expected that the waste package will be damaged under water action (concrete leaching, iron corrosion). Then, to understand these damaging processes, chemical reactions and solutes transport are modelled. Numerical simulations of reactive transport can be done sequentially by the coupling of several codes. This is the case of the software platform ALLIANCES which is developed jointly with CEA, ANDRA and EDF. Stiff reactions like precipitation-dissolution are crucial for the radioactive waste storage applications, but standard sequential iterative approaches like Picard's fail in solving rapidly reactive transport simulations with such stiff reactions. In the first part of this work, we focus on a simplified precipitation and dissolution process: a system made up with one solid species and two aqueous species moving by diffusion is studied mathematically. It is assumed that a precipitation dissolution reaction occurs in between them, and it is modelled by a discontinuous kinetics law of unknown sign. By using monotonicity properties, the convergence of a finite volume scheme on admissible mesh is proved. Existence of a weak solution is obtained as a by-product of the convergence of the scheme. The second part is dedicated to coupling algorithms which improve Picard's method and can be easily used in an existing coupling code. By extending previous works, we propose a general and adaptable framework to solve nonlinear systems. Indeed by selecting special options, we can either recover well known methods, like nonlinear conjugate gradient methods, or design specific method. This algorithm has two main steps, a preconditioning one and an acceleration one. This algorithm is tested on several examples, some of them being rather academical and others being more realistic. We test it on the 'three species model'' example. Other reactive transport simulations use an external chemical code CHESS. For a
International Nuclear Information System (INIS)
Bacon, Diana H.; White, Mark D.; McGrail, B PETER
2004-01-01
The U.S. Department of Energy must approve a performance assessment (PA) to support the design, construction, approval, and closure of disposal facilities for immobilized low-activity waste (ILAW) currently stored in underground tanks at Hanford, Washington. A critical component of the PA is to provide quantitative estimates of radionuclide release rates from the engineered portion of the disposal facilities. Computer simulations are essential for this purpose because impacts on groundwater resources must be projected to periods of 10,000 years and longer. The computer code selected for simulating the radionuclide release rates is the Subsurface Transport Over Reactive Multiphases (STORM) simulator. The STORM simulator solves coupled conservation equations for component mass and energy that describe subsurface flow over aqueous and gas phases through variably saturated geologic media. The resulting flow fields are used to sequentially solve conservation equations for reactive aqueous phase transport through variably saturated geologic media. These conservation equations for component mass, energy, and solute mass are partial differential equations that mathematically describe flow and transport through porous media. The STORM simulator solves the governing-conservation equations and constitutive functions using numerical techniques for nonlinear systems. The partial differential equations governing thermal and fluid flow processes are solved by the integral volume finite difference method. These governing equations are solved simultaneously using Newton-Raphson iteration. The partial differential equations governing reactive solute transport are solved using either an operator split technique where geochemical reactions and solute transport are solved separately, or a fully coupled technique where these equations are solved simultaneously. The STORM simulator is written in the FORTRAN 77 language, following American National Standards Institute (ANSI) standards
International Nuclear Information System (INIS)
Travis, C.C.
1978-10-01
This report reviews selected literature related to the mathematical description of the transport of reactive solutes through soil. The primary areas of the literature reviewed are (1) mathematical models in current use for description of the adsorption-desorption interaction between the soil solution and the soil matrix and (2) analytic solutions of the differential equations describing the convective-dispersive transport of reactive solutes through soil
Monte Carlo simulation of nonlinear reactive contaminant transport in unsaturated porous media
International Nuclear Information System (INIS)
Giacobbo, F.; Patelli, E.
2007-01-01
In the current proposed solutions of radioactive waste repositories, the protective function against the radionuclide water-driven transport back to the biosphere is to be provided by an integrated system of engineered and natural geologic barriers. The occurrence of several nonlinear interactions during the radionuclide migration process may render burdensome the classical analytical-numerical approaches. Moreover, the heterogeneity of the barriers' media forces approximations to the classical analytical-numerical models, thus reducing their fidelity to reality. In an attempt to overcome these difficulties, in the present paper we adopt a Monte Carlo simulation approach, previously developed on the basis of the Kolmogorov-Dmitriev theory of branching stochastic processes. The approach is here extended for describing transport through unsaturated porous media under transient flow conditions and in presence of nonlinear interchange phenomena between the liquid and solid phases. This generalization entails the determination of the functional dependence of the parameters of the proposed transport model from the water content and from the contaminant concentration, which change in space and time during the water infiltration process. The corresponding Monte Carlo simulation approach is verified with respect to a case of nonreactive transport under transient unsaturated flow and to a case of nonlinear reactive transport under stationary saturated flow. Numerical applications regarding linear and nonlinear reactive transport under transient unsaturated flow are reported
Modeling non-isothermal multiphase multi-species reactive chemical transport in geologic media
Energy Technology Data Exchange (ETDEWEB)
Tianfu Xu; Gerard, F.; Pruess, K.; Brimhall, G.
1997-07-01
The assessment of mineral deposits, the analysis of hydrothermal convection systems, the performance of radioactive, urban and industrial waste disposal, the study of groundwater pollution, and the understanding of natural groundwater quality patterns all require modeling tools that can consider both the transport of dissolved species as well as their interactions with solid (or other) phases in geologic media and engineered barriers. Here, a general multi-species reactive transport formulation has been developed, which is applicable to homogeneous and/or heterogeneous reactions that can proceed either subject to local equilibrium conditions or kinetic rates under non-isothermal multiphase flow conditions. Two numerical solution methods, the direct substitution approach (DSA) and sequential iteration approach (SIA) for solving the coupled complex subsurface thermo-physical-chemical processes, are described. An efficient sequential iteration approach, which solves transport of solutes and chemical reactions sequentially and iteratively, is proposed for the current reactive chemical transport computer code development. The coupled flow (water, vapor, air and heat) and solute transport equations are also solved sequentially. The existing multiphase flow code TOUGH2 and geochemical code EQ3/6 are used to implement this SIA. The flow chart of the coupled code TOUGH2-EQ3/6, required modifications of the existing codes and additional subroutines needed are presented.
Biogeochemical reactive transport of carbon, nitrogen and iron in the hyporheic zone
Dwivedi, D.; Steefel, C. I.; Newcomer, M. E.; Arora, B.; Spycher, N.; Hammond, G. E.; Moulton, J. D.; Fox, P. M.; Nico, P. S.; Williams, K. H.; Dafflon, B.; Carroll, R. W. H.
2017-12-01
To understand how biogeochemical processes in the hyporheic zone influence carbon and nitrogen cycling as well as stream biogeochemistry, we developed a biotic and abiotic reaction network and integrated it into a reactive transport simulator - PFLOTRAN. Three-dimensional reactive flow and transport simulations were performed to describe the hyporheic exchange of fluxes from and within an intra-meander region encompassing two meanders of East River in the East Taylor watershed, Colorado. The objectives of this study were to quantify (1) the effect of transience on the export of carbon, nitrogen, and iron; and (2) the biogeochemical transformation of nitrogen and carbon species as a function of the residence time. The model was able to capture reasonably well the observed trends of nitrate and dissolved oxygen values that decreased as well as iron (Fe (II)) values that increased along the meander centerline away from the stream. Hyporheic flow paths create lateral redox zonation within intra-meander regions, which considerably impact nitrogen export into the stream system. Simulation results further demonstrated that low water conditions lead to higher levels of dissolved iron in groundwater, which (Fe (II)> 80%) is exported to the stream on the downstream side during high water conditions. An important conclusion from this study is that reactive transport models representing spatial and temporal heterogeneities are required to identify important factors that contribute to the redox gradients at riverine scales.
Mood induction in depressive patients: a comparative multidimensional approach.
Directory of Open Access Journals (Sweden)
Irina Falkenberg
Full Text Available Anhedonia, reduced positive affect and enhanced negative affect are integral characteristics of major depressive disorder (MDD. Emotion dysregulation, e.g. in terms of different emotion processing deficits, has consistently been reported. The aim of the present study was to investigate mood changes in depressive patients using a multidimensional approach for the measurement of emotional reactivity to mood induction procedures. Experimentally, mood states can be altered using various mood induction procedures. The present study aimed at validating two different positive mood induction procedures in patients with MDD and investigating which procedure is more effective and applicable in detecting dysfunctions in MDD. The first procedure relied on the presentation of happy vs. neutral faces, while the second used funny vs. neutral cartoons. Emotional reactivity was assessed in 16 depressed and 16 healthy subjects using self-report measures, measurements of electrodermal activity and standardized analyses of facial responses. Positive mood induction was successful in both procedures according to subjective ratings in patients and controls. In the cartoon condition, however, a discrepancy between reduced facial activity and concurrently enhanced autonomous reactivity was found in patients. Relying on a multidimensional assessment technique, a more comprehensive estimate of dysfunctions in emotional reactivity in MDD was available than by self-report measures alone and this was unsheathed especially by the mood induction procedure relying on cartoons. The divergent facial and autonomic responses in the presence of unaffected subjective reactivity suggest an underlying deficit in the patients' ability to express the felt arousal to funny cartoons. Our results encourage the application of both procedures in functional imaging studies for investigating the neural substrates of emotion dysregulation in MDD patients. Mood induction via cartoons appears to
Transport of reactive and nonreactive solutes
International Nuclear Information System (INIS)
Garabedian, S.P.; Leblanc, D.R.
1990-01-01
A natural-gradient tracer test was conducted on Cape Cod, Massachusetts, to examine the transport and dispersion of solutes in a sand and gravel aquifer. A nonreactive tracer, bromide, and two reactive tracers, lithium and molybdate, were injected as a pulse in July 1985 and monitored in three dimensions for 3 years as they moved 280 meters downgradient through an array of multilevel samplers. The tracer transport was quantified using spatial moments. The calculated total mass of bromide for each sampling date varied from 86 to 105 percent of the injected mass, and the center of mass moved at a nearly constant horizontal velocity of 0.42 meters per day. The bromide cloud also moved downward about 4 meters, probably because of density-induced sinking and accretion of areal recharge from precipitation. After 200 meters of transport, the bromide cloud was more than 80 meters long but only 14 meters wide and 6 meters thick. The change in longitudinal dispersivity had reached a constant value (0.96 meters). The transverse horizontal and transverse vertical dispersivities were much smaller (1.8 centimeters and 1.5 millimeters, respectively) than the longitudinal value. The lithium and molybdate clouds followed the same path as the bromide cloud, but a significant amount of their mass was adsorbed onto the aquifer sediments, and their rates of movement were retarded about 50 percent relative to the bromide movement. (Author) (5 figs., 23 refs.)
Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery
Surasani, V.; Li, L.
2011-12-01
Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.
Coupled Modeling of Rhizosphere and Reactive Transport Processes
Roque-Malo, S.; Kumar, P.
2017-12-01
The rhizosphere, as a bio-diverse plant root-soil interface, hosts many hydrologic and biochemical processes, including nutrient cycling, hydraulic redistribution, and soil carbon dynamics among others. The biogeochemical function of root networks, including the facilitation of nutrient cycling through absorption and rhizodeposition, interaction with micro-organisms and fungi, contribution to biomass, etc., plays an important role in myriad Critical Zone processes. Despite this knowledge, the role of the rhizosphere on watershed-scale ecohydrologic functions in the Critical Zone has not been fully characterized, and specifically, the extensive capabilities of reactive transport models (RTMs) have not been applied to these hydrobiogeochemical dynamics. This study uniquely links rhizospheric processes with reactive transport modeling to couple soil biogeochemistry, biological processes, hydrologic flow, hydraulic redistribution, and vegetation dynamics. Key factors in the novel modeling approach are: (i) bi-directional effects of root-soil interaction, such as simultaneous root exudation and nutrient absorption; (ii) multi-state biomass fractions in soil (i.e. living, dormant, and dead biological and root materials); (iii) expression of three-dimensional fluxes to represent both vertical and lateral interconnected flows and processes; and (iv) the potential to include the influence of non-stationary external forcing and climatic factors. We anticipate that the resulting model will demonstrate the extensive effects of plant root dynamics on ecohydrologic functions at the watershed scale and will ultimately contribute to a better characterization of efflux from both agricultural and natural systems.
International Nuclear Information System (INIS)
Varloteaux, C.
2012-01-01
The geo-sequestration of carbon dioxide (CO 2 ) is an attractive option to reduce the emission of greenhouse gases. Within carbonate reservoirs, acidification of brine in place can occur during CO 2 injection. This acidification leads to mineral dissolution which can modify the transport properties of a solute in porous media. The aim of this study is to quantify the impact of reactive transport on a solute distribution and on the structural modification induced by the reaction from the pore to the reservoir scale. This study is focused on reactive transport problem in the case of single phase flow in the limit of long time. To do so, we used a multi-scale up-scaling method that takes into account (i) the local scale, where flow, reaction and transport are known; (ii) the pore scale, where the reactive transport is addressed by using averaged formulation of the local equations; (iii) the Darcy scale (also called core scale), where the structure of the rock is taken into account by using a three-dimensions network of pore-bodies connected by pore-throats; and (iv) the reservoir scale, where physical phenomenon, within each cell of the reservoir model, are taken into account by introducing macroscopic coefficients deduced from the study of these phenomenon at the Darcy scale, such as the permeability, the apparent reaction rate, the solute apparent velocity and dispersion. (author)
Zanni, Martin Thomas; Damrauer, Niels H.
2010-07-20
A multidimensional spectrometer for the infrared, visible, and ultraviolet regions of the electromagnetic spectrum, and a method for making multidimensional spectroscopic measurements in the infrared, visible, and ultraviolet regions of the electromagnetic spectrum. The multidimensional spectrometer facilitates measurements of inter- and intra-molecular interactions.
Web-based reactive transport modeling using PFLOTRAN
Zhou, H.; Karra, S.; Lichtner, P. C.; Versteeg, R.; Zhang, Y.
2017-12-01
Actionable understanding of system behavior in the subsurface is required for a wide spectrum of societal and engineering needs by both commercial firms and government entities and academia. These needs include, for example, water resource management, precision agriculture, contaminant remediation, unconventional energy production, CO2 sequestration monitoring, and climate studies. Such understanding requires the ability to numerically model various coupled processes that occur across different temporal and spatial scales as well as multiple physical domains (reservoirs - overburden, surface-subsurface, groundwater-surface water, saturated-unsaturated zone). Currently, this ability is typically met through an in-house approach where computational resources, model expertise, and data for model parameterization are brought together to meet modeling needs. However, such an approach has multiple drawbacks which limit the application of high-end reactive transport codes such as the Department of Energy funded[?] PFLOTRAN code. In addition, while many end users have a need for the capabilities provided by high-end reactive transport codes, they do not have the expertise - nor the time required to obtain the expertise - to effectively use these codes. We have developed and are actively enhancing a cloud-based software platform through which diverse users are able to easily configure, execute, visualize, share, and interpret PFLOTRAN models. This platform consists of a web application and available on-demand HPC computational infrastructure. The web application consists of (1) a browser-based graphical user interface which allows users to configure models and visualize results interactively, and (2) a central server with back-end relational databases which hold configuration, data, modeling results, and Python scripts for model configuration, and (3) a HPC environment for on-demand model execution. We will discuss lessons learned in the development of this platform, the
Stable isotope reactive transport modeling in water-rock interactions during CO2 injection
Hidalgo, Juan J.; Lagneau, Vincent; Agrinier, Pierre
2010-05-01
Stable isotopes can be of great usefulness in the characterization and monitoring of CO2 sequestration sites. Stable isotopes can be used to track the migration of the CO2 plume and identify leakage sources. Moreover, they provide unique information about the chemical reactions that take place on the CO2-water-rock system. However, there is a lack of appropriate tools that help modelers to incorporate stable isotope information into the flow and transport models used in CO2 sequestration problems. In this work, we present a numerical tool for modeling the transport of stable isotopes in groundwater reactive systems. The code is an extension of the groundwater single-phase flow and reactive transport code HYTEC [2]. HYTEC's transport module was modified to include element isotopes as separate species. This way, it is able to track isotope composition of the system by computing the mixing between the background water and the injected solution accounting for the dependency of diffusion on the isotope mass. The chemical module and database have been expanded to included isotopic exchange with minerals and the isotope fractionation associated with chemical reactions and mineral dissolution or precipitation. The performance of the code is illustrated through a series of column synthetic models. The code is also used to model the aqueous phase CO2 injection test carried out at the Lamont-Doherty Earth Observatory site (Palisades, New York, USA) [1]. References [1] N. Assayag, J. Matter, M. Ader, D. Goldberg, and P. Agrinier. Water-rock interactions during a CO2 injection field-test: Implications on host rock dissolution and alteration effects. Chemical Geology, 265(1-2):227-235, July 2009. [2] Jan van der Lee, Laurent De Windt, Vincent Lagneau, and Patrick Goblet. Module-oriented modeling of reactive transport with HYTEC. Computers & Geosciences, 29(3):265-275, April 2003.
Energy Technology Data Exchange (ETDEWEB)
Tournassat, Christophe, E-mail: c.tournassat@brgm.fr [BRGM, French Geological Survey, Orleans (France); Alt-Epping, Peter [Rock-Water Interaction Group, Institute of Geological Sciences, University of Bern (Switzerland); Gaucher, Eric C. [BRGM, French Geological Survey, Orleans (France); Gimmi, Thomas [Rock-Water Interaction Group, Institute of Geological Sciences, University of Bern (Switzerland)] [Laboratory for Waste Management, Paul Scherrer Institut, Villigen (Switzerland); Leupin, Olivier X. [NAGRA, CH-5430 Wettingen (Switzerland); Wersin, Paul [Gruner Ltd., CH-4020 Basel (Switzerland)
2011-06-15
Highlights: > Reactive transport modelling was used to simulate simultaneously solute transport, thermodynamic reactions, ion exchange and biodegradation during an in-situ experiment in a clay-rock formation. > Opalinus clay formation has a high buffering capacity in terms of chemical perturbations caused by bacterial activity. > Buffering capacity is mainly attributed to the carbonate system and to the reactivity of clay surfaces (cation exchange, pH buffering). - Abstract: Reactive transport modelling was used to simulate solute transport, thermodynamic reactions, ion exchange and biodegradation in the Porewater Chemistry (PC) experiment at the Mont Terri Rock Laboratory. Simulations show that the most important chemical processes controlling the fluid composition within the borehole and the surrounding formation during the experiment are ion exchange, biodegradation and dissolution/precipitation reactions involving pyrite and carbonate minerals. In contrast, thermodynamic mineral dissolution/precipitation reactions involving alumo-silicate minerals have little impact on the fluid composition on the time-scale of the experiment. With the accurate description of the initial chemical condition in the formation in combination with kinetic formulations describing the different stages of bacterial activities, it has been possible to reproduce the evolution of important system parameters, such as the pH, redox potential, total organic C, dissolved inorganic C and SO{sub 4} concentration. Leaching of glycerol from the pH-electrode may be the primary source of organic material that initiated bacterial growth, which caused the chemical perturbation in the borehole. Results from these simulations are consistent with data from the over-coring and demonstrate that the Opalinus Clay has a high buffering capacity in terms of chemical perturbations caused by bacterial activity. This buffering capacity can be attributed to the carbonate system as well as to the reactivity of
Reactive transport of aqueous protons in porous media
McNeece, Colin J.
2016-10-09
The sorption of protons determines the surface charge of natural media and is therefore a first-order control on contaminant transport. Significant effort has been extended to develop chemical models that quantify the sorption of protons at the mineral surface. To compare these models’ effect on predicted proton transport, we present analytic solutions for column experiments through silica sand. Reaction front morphology is controlled by the functional relationship between the total sorbed and total aqueous proton concentrations. An inflection point in this function near neutral pH leads to a reversal in the classic front formation mechanism under basic conditions, such that proton desorption leads to a self-sharpening front, while adsorption leads to a spreading front. A composite reaction front comprising both a spreading and self-sharpening segment can occur when the injected and initial concentrations straddle the inflection point. This behavior is unique in single component reactive transport and arises due to the auto-ionization of water rather than electrostatic interactions at the mineral surface. We derive a regime diagram illustrating conditions under which different fronts occur, highlighting areas where model predictions diverge. Chemical models are then compared and validated against a systematic set of column experiments.
A parametric transfer function methodology for analyzing reactive transport in nonuniform flow.
Luo, Jian; Cirpka, Olaf A; Fienen, Michael N; Wu, Wei-min; Mehlhorn, Tonia L; Carley, Jack; Jardine, Philip M; Criddle, Craig S; Kitanidis, Peter K
2006-02-01
We analyze reactive transport during in-situ bioremediation in a nonuniform flow field, involving multiple extraction and injection wells, by the method of transfer functions. Gamma distributions are used as parametric models of the transfer functions. Apparent parameters of classical transport models may be estimated from those of the gamma distributions by matching temporal moments. We demonstrate the method by application to measured data taken at a field experiment on bioremediation conducted in a multiple-well system in Oak Ridge, TN. Breakthrough curves (BTCs) of a conservative tracer (bromide) and a reactive compound (ethanol) are measured at multi-level sampling (MLS) wells and in extraction wells. The BTCs of both compounds are jointly analyzed to estimate the first-order degradation rate of ethanol. To quantify the tracer loss, we compare the approaches of using a scaling factor and a first-order decay term. Results show that by including a scaling factor both gamma distributions and inverse-Gaussian distributions (transfer functions according to the advection-dispersion equation) are suitable to approximate the transfer functions and estimate the reactive rate coefficients for both MLS and extraction wells. However, using a first-order decay term for tracer loss fails to describe the BTCs at the extraction well, which is affected by the nonuniform distribution of travel paths.
Effects of water content on reactive transport of Sr in Chernobyl sand columns
International Nuclear Information System (INIS)
Szenknect, S.; Dewiere, L.; Ardois, C.; Gaudet, J.P.
2005-01-01
Full text of publication follows: While transport of non-reactive solutes has been studied extensively in unsaturated porous media, much less is known about the factors that control the transport of sorbing solutes in unsaturated conditions. Three laboratory techniques were used to analyze the transport of Sr in the aeolian sand from Chernobyl Pilot Site [1] in both saturated and unsaturated flow conditions. Batch experiments were performed to study the chemical equilibrium state of the soil/solution system. Stirred flow-through reactor (SFTR) experiments were performed to study the kinetics and reversibility of sorption reactions at the surface of solid particles. Column experiments were also performed in saturated and unsaturated steady flow conditions. Experimental data pointed out a non-linear, instantaneous and reversible sorption process of Sr. A suitable cation-exchange model was used to describe the solute/soil reaction. The former model was coupled with transport models to describe behavior of Sr in saturated [2] and unsaturated flow conditions. Transport properties of sand packed columns have been determined with an inert tracer (HTO). BTCs obtained under saturated conditions exhibit a small amount of dispersion compared to those obtained under unsaturated conditions. Classical advection-dispersion model described successfully saturated tritium breakthrough curves (BTCs), whereas a mobile-immobile model (MIM) was required to described asymmetrical unsaturated BTCs. The MIM assumes that the porous medium contains a mobile water phase in which convective-dispersive transport occurs, and a immobile water phase with which solutes can exchange with a first order kinetic. In our experiments, transport by advection in the mobile phase is the predominant process whatever the flow conditions and mass transfer rate between the mobile and immobile regions is the predominant process for broadening the BTCs. Since dispersion is blurred by mass transfer resistance, the
Marine phages as excellent tracers for reactive colloidal transport in porous media
Ghanem, Nawras; Chatzinotas, Antonis; Harms, Hauke; Wick, Lukas Y.
2016-04-01
Question: Here we evaluate marine phages as specific markers of hydrological flow and reactive transport of colloidal particles in the Earth's critical zone (CZ). Marine phages and their bacterial hosts are naturally absent in the CZ, and can be detected with extremely high sensitivity. In the framework of the DFG Collaborative Research Center AquaDiva, we asked the following questions: (1) Are marine phages useful specific markers of hydrological flow and reactive transport in porous media? and (2) Which phage properties are relevant drivers for the transport of marine phages in porous media? Methods: Seven marine phages from different families (as well two commonly used terrestrial phages) were selected based on their morphology, size and physico-chemical surface properties (surface charge and hydrophobicity). Phage properties were assessed by electron microscopy, dynamic light scattering and water contact angle analysis (CA). Sand-filled laboratory percolation columns were used to study transport. The breakthrough curves of the phages were analyzed using the clean bed filtration theory and the XDLVO theory of colloid stability, respectively. Phages were quantified by a modified high- throughput plaque assay and a culture-independent particle counting method approach. Results: Our data show that most marine tested phages exhibited highly variable transport rates and deposition efficiency, yet generally high colloidal stability and viability. We find that size, morphology and hydrophobicity are key factors shaping the transport efficiency of phages. Differing deposition efficiencies of the phages were also supported by calculated XDLVO interaction energy profile. Conclusion: Marine phages have a high potential for the use as sensitive tracers in terrestrial habitats with their surface properties playing a crucial role for their transport. Marine phages however, exhibit differences in their deposition efficiency depending on their morphology, hydrophobicity and
VS2DRTI: Simulating Heat and Reactive Solute Transport in Variably Saturated Porous Media.
Healy, Richard W; Haile, Sosina S; Parkhurst, David L; Charlton, Scott R
2018-01-29
Variably saturated groundwater flow, heat transport, and solute transport are important processes in environmental phenomena, such as the natural evolution of water chemistry of aquifers and streams, the storage of radioactive waste in a geologic repository, the contamination of water resources from acid-rock drainage, and the geologic sequestration of carbon dioxide. Up to now, our ability to simulate these processes simultaneously with fully coupled reactive transport models has been limited to complex and often difficult-to-use models. To address the need for a simple and easy-to-use model, the VS2DRTI software package has been developed for simulating water flow, heat transport, and reactive solute transport through variably saturated porous media. The underlying numerical model, VS2DRT, was created by coupling the flow and transport capabilities of the VS2DT and VS2DH models with the equilibrium and kinetic reaction capabilities of PhreeqcRM. Flow capabilities include two-dimensional, constant-density, variably saturated flow; transport capabilities include both heat and multicomponent solute transport; and the reaction capabilities are a complete implementation of geochemical reactions of PHREEQC. The graphical user interface includes a preprocessor for building simulations and a postprocessor for visual display of simulation results. To demonstrate the simulation of multiple processes, the model is applied to a hypothetical example of injection of heated waste water to an aquifer with temperature-dependent cation exchange. VS2DRTI is freely available public domain software. © 2018, National Ground Water Association.
Loschko, Matthias; Wöhling, Thomas; Rudolph, David L.; Cirpka, Olaf A.
2018-01-01
Many groundwater contaminants react with components of the aquifer matrix, causing a depletion of the aquifer's reactivity with time. We discuss conceptual simplifications of reactive transport that allow the implementation of a decreasing reaction potential in reactive-transport simulations in chemically and hydraulically heterogeneous aquifers without relying on a fully explicit description. We replace spatial coordinates by travel-times and use the concept of relative reactivity, which represents the reaction-partner supply from the matrix relative to a reference. Microorganisms facilitating the reactions are not explicitly modeled. Solute mixing is neglected. Streamlines, obtained by particle tracking, are discretized in travel-time increments with variable content of reaction partners in the matrix. As exemplary reactive system, we consider aerobic respiration and denitrification with simplified reaction equations: Dissolved oxygen undergoes conditional zero-order decay, nitrate follows first-order decay, which is inhibited in the presence of dissolved oxygen. Both reactions deplete the bioavailable organic carbon of the matrix, which in turn determines the relative reactivity. These simplifications reduce the computational effort, facilitating stochastic simulations of reactive transport on the aquifer scale. In a one-dimensional test case with a more detailed description of the reactions, we derive a potential relationship between the bioavailable organic-carbon content and the relative reactivity. In a three-dimensional steady-state test case, we use the simplified model to calculate the decreasing denitrification potential of an artificial aquifer over 200 years in an ensemble of 200 members. We demonstrate that the uncertainty in predicting the nitrate breakthrough in a heterogeneous aquifer decreases with increasing scale of observation.
Barajas-Solano, D. A.; Tartakovsky, A. M.
2017-12-01
We present a multiresolution method for the numerical simulation of flow and reactive transport in porous, heterogeneous media, based on the hybrid Multiscale Finite Volume (h-MsFV) algorithm. The h-MsFV algorithm allows us to couple high-resolution (fine scale) flow and transport models with lower resolution (coarse) models to locally refine both spatial resolution and transport models. The fine scale problem is decomposed into various "local'' problems solved independently in parallel and coordinated via a "global'' problem. This global problem is then coupled with the coarse model to strictly ensure domain-wide coarse-scale mass conservation. The proposed method provides an alternative to adaptive mesh refinement (AMR), due to its capacity to rapidly refine spatial resolution beyond what's possible with state-of-the-art AMR techniques, and the capability to locally swap transport models. We illustrate our method by applying it to groundwater flow and reactive transport of multiple species.
Energy Technology Data Exchange (ETDEWEB)
Lu, X., E-mail: luxinpei@hotmail.com [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); IFSA Collaborative Innovation Center, Shanghai Jiao Tong University, Shanghai 200240 (China); Naidis, G.V. [Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow 125412 (Russian Federation); Laroussi, M. [Plasma Engineering & Medicine Institute, Old Dominion University, Norfolk, VA 23529 (United States); Reuter, S. [Leibniz Institute for Plasma Science and Technology, Felix-Hausdorff-Strasse 2, 17489 Greifswald (Germany); Graves, D.B. [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720 (United States); Ostrikov, K. [Institute for Future Environments, Queensland University of Technology, Brisbane, QLD 4000 (Australia); School of Physics, Chemistry, and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4000 (Australia); Commonwealth Scientific and Industrial Research Organization, P.O.Box 218, Lindfield, NSW 2070 (Australia); School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia)
2016-05-04
Non-equilibrium atmospheric-pressure plasmas have recently become a topical area of research owing to their diverse applications in health care and medicine, environmental remediation and pollution control, materials processing, electrochemistry, nanotechnology and other fields. This review focuses on the reactive electrons and ionic, atomic, molecular, and radical species that are produced in these plasmas and then transported from the point of generation to the point of interaction with the material, medium, living cells or tissues being processed. The most important mechanisms of generation and transport of the key species in the plasmas of atmospheric-pressure plasma jets and other non-equilibrium atmospheric-pressure plasmas are introduced and examined from the viewpoint of their applications in plasma hygiene and medicine and other relevant fields. Sophisticated high-precision, time-resolved plasma diagnostics approaches and techniques are presented and their applications to monitor the reactive species and plasma dynamics in the plasma jets and other discharges, both in the gas phase and during the plasma interaction with liquid media, are critically reviewed. The large amount of experimental data is supported by the theoretical models of reactive species generation and transport in the plasmas, surrounding gaseous environments, and plasma interaction with liquid media. These models are presented and their limitations are discussed. Special attention is paid to biological effects of the plasma-generated reactive oxygen and nitrogen (and some other) species in basic biological processes such as cell metabolism, proliferation, survival, etc. as well as plasma applications in bacterial inactivation, wound healing, cancer treatment and some others. Challenges and opportunities for theoretical and experimental research are discussed and the authors’ vision for the emerging convergence trends across several disciplines and application domains is presented to
Wei, Xiaohui; Li, Weishan; Tian, Hailong; Li, Hongliang; Xu, Haixiao; Xu, Tianfu
2015-07-01
The numerical simulation of multiphase flow and reactive transport in the porous media on complex subsurface problem is a computationally intensive application. To meet the increasingly computational requirements, this paper presents a parallel computing method and architecture. Derived from TOUGHREACT that is a well-established code for simulating subsurface multi-phase flow and reactive transport problems, we developed a high performance computing THC-MP based on massive parallel computer, which extends greatly on the computational capability for the original code. The domain decomposition method was applied to the coupled numerical computing procedure in the THC-MP. We designed the distributed data structure, implemented the data initialization and exchange between the computing nodes and the core solving module using the hybrid parallel iterative and direct solver. Numerical accuracy of the THC-MP was verified through a CO2 injection-induced reactive transport problem by comparing the results obtained from the parallel computing and sequential computing (original code). Execution efficiency and code scalability were examined through field scale carbon sequestration applications on the multicore cluster. The results demonstrate successfully the enhanced performance using the THC-MP on parallel computing facilities.
Predicting Reactive Transport Dynamics in Carbonates using Initial Pore Structure
Menke, H. P.; Nunes, J. P. P.; Blunt, M. J.
2017-12-01
Understanding rock-fluid interaction at the pore-scale is imperative for accurate predictive modelling of carbon storage permanence. However, coupled reactive transport models are computationally expensive, requiring either a sacrifice of resolution or high performance computing to solve relatively simple geometries. Many recent studies indicate that initial pore structure many be the dominant mechanism in determining the dissolution regime. Here we investigate how well the initial pore structure is predictive of distribution and amount of dissolution during reactive flow using particle tracking on the initial image. Two samples of carbonate rock with varying initial pore space heterogeneity were reacted with reservoir condition CO2-saturated brine and scanned dynamically during reactive flow at a 4-μm resolution between 4 and 40 times using 4D X-ray micro-tomography over the course of 1.5 hours using μ-CT. Flow was modelled on the initial binarized image using a Navier-Stokes solver. Particle tracking was then run on the velocity fields, the streamlines were traced, and the streamline density was calculated both on a voxel-by-voxel and a channel-by-channel basis. The density of streamlines was then compared to the amount of dissolution in subsequent time steps during reaction. It was found that for the flow and transport regimes studied, the streamline density distribution in the initial image accurately predicted the dominant pathways of dissolution and gave good indicators of the type of dissolution regime that would later develop. This work suggests that the eventual reaction-induced changes in pore structure are deterministic rather than stochastic and can be predicted with high resolution imaging of unreacted rock.
Multi-Dimensional Radiation Transport in Dense Z-pinch Wire Array Plasmas
Jennings, C. A.; Chittenden, J. P.; Ciardi, A.; Sherlock, M.; Lebedev, S. V.
2004-11-01
Z-pinch wire arrays have proven to be an extremely efficient high yield, short pulse x-ray source with potential application to ICF. The characteristics of the x-ray pulse produced have been shown to be largely determined by non-uniform break up of the wires leading to a highly irregular distribution of mass which implodes towards the axis. Modelling the inherent 3D nature of these plasmas is already computationally very expensive, and so energy exchange through radiation is frequently neglected, assuming instead an optically thin radiation loss model. With a significant fraction of the total energy at late stages being radiated through a dense, optically thick plasma this approach is potentially inadequate in fully describing the implosion. We analyse the effects of radiative cooling and radiation transport on stagnation and precursor development in wire array z-pinch implosions. A three temperature multidimensional MHD code using a single group radiation diffusion model is used to study radiation trapping in the precursor, and the effects of preheating on the implosion dynamics. Energy exchange in the final stagnated plasma and its effects on the x-ray pulse shape is also discussed. This work was partially supported by the SSAA program of the NNSA through DoE cooperative agreement DE-F03-02NA00057.
Multi-dimensional upwinding-based implicit LES for the vorticity transport equations
Foti, Daniel; Duraisamy, Karthik
2017-11-01
Complex turbulent flows such as rotorcraft and wind turbine wakes are characterized by the presence of strong coherent structures that can be compactly described by vorticity variables. The vorticity-velocity formulation of the incompressible Navier-Stokes equations is employed to increase numerical efficiency. Compared to the traditional velocity-pressure formulation, high order numerical methods and sub-grid scale models for the vorticity transport equation (VTE) have not been fully investigated. Consistent treatment of the convection and stretching terms also needs to be addressed. Our belief is that, by carefully designing sharp gradient-capturing numerical schemes, coherent structures can be more efficiently captured using the vorticity-velocity formulation. In this work, a multidimensional upwind approach for the VTE is developed using the generalized Riemann problem-based scheme devised by Parish et al. (Computers & Fluids, 2016). The algorithm obtains high resolution by augmenting the upwind fluxes with transverse and normal direction corrections. The approach is investigated with several canonical vortex-dominated flows including isolated and interacting vortices and turbulent flows. The capability of the technique to represent sub-grid scale effects is also assessed. Navy contract titled ``Turbulence Modelling Across Disparate Length Scales for Naval Computational Fluid Dynamics Applications,'' through Continuum Dynamics, Inc.
Reactive transport modeling of coupled inorganic and organic processes in groundwater
Energy Technology Data Exchange (ETDEWEB)
Brun, Adam
1997-12-31
The main goals of this project are to develop and apply a reactive transport code for simulation of coupled organic and inorganic processes in the pollution plume in the ground water down-gradient from the Vejen landfill, Denmark. The detailed field investigations in this aquifer have previously revealed a complex pattern of strongly interdependent organic and inorganic processes. These processes occur simultaneously in a flow and transport system where the mixing of reactive species is influenced by the rather complex geology in the vicinity of the landfill. The removal of organic matter is influenced by the presence of various electron acceptors that also are involved in various inorganic geochemical reactions. It was concluded from the investigations that degradation of organic matter, complexation, mineral precipitation and dissolution, ion-exchange and inorganic redox reactions, as a minimum, should be included in the formulation of the model. The coupling of the organic and inorganic processes is developed based on a literature study. All inorganic processes are as an approximation described as equilibriumm processes. The organic processes are described by a maximum degradation rate that is decreased according to the availability of the participants in the processes, the actual pH, and the presence of inhibiting species. The reactive transport code consists of three separate codes, a flow and transport code, a geochemical code, and a biodegradation code. An iterative solution scheme couples the three codes. The coupled code was successfully verified for simple problems for which analytical solutions exist. For more complex problems the code was tested on synthetic cases and expected plume behavior was successfully simulated. Application of the code to the Vejen landfill aquifer was successful to the degree that the redox zonation down-gradient from the landfill was simulated correctly and that several of the simulated plumes showed a reasonable agreement with
Reactive transport simulations of the evolution of a cementitious repository in clay-rich host rocks
Kosakowski, Georg; Berner, Urs; Kulik, Dmitrii A.
2010-05-01
In Switzerland, the deep geological disposal in clay-rich rocks is foreseen not only for high-level radioactive waste, but also for intermediate-level (ILW) and low-level (LLW) radioactive waste. Typically, ILW and LLW repositories contain huge amounts of cementitious materials used for waste conditioning, confinement, and as backfill for the emplacement caverns. We are investigating the interactions of such a repository with the surrounding clay rocks and with other clay-rich materials such as sand/bentonite mixtures that are foreseen for backfilling the access tunnels. With the help of a numerical reactive transport model, we are comparing the evolution of cement/clay interfaces for different geochemical and transport conditions. In this work, the reactive transport of chemical components is simulated with the multi-component reactive transport code OpenGeoSys-GEM. It employs the sequential non-iterative approach to couple the mass transport code OpenGeoSys (http://www.ufz.de/index.php?en=18345) with the GEMIPM2K (http://gems.web.psi.ch/) code for thermodynamic modeling of aquatic geochemical systems which is using the Gibbs Energy Minimization (GEM) method. Details regarding code development and verification can be found in Shao et al. (2009). The mineral composition and the pore solution of a CEM I 52.5 N HTS hydrated cement as described by Lothenbach & Wieland (2006) are used as an initial state of the cement compartment. The setup is based on the most recent CEMDATA07 thermodynamic database which includes several ideal solid solutions for hydrated cement minerals and is consistent with the Nagra/PSI thermodynamic database 01/01. The smectite/montmorillonite model includes cation exchange processes and amphotheric≡SOH sites and was calibrated on the basis of data by Bradbury & Baeyens (2002). In other reactive transport codes based on the Law of Mass Action (LMA) for solving geochemical equilibria, cation exchange processes are usually calculated assuming
Modeling biogechemical reactive transport in a fracture zone
Energy Technology Data Exchange (ETDEWEB)
Molinero, Jorge; Samper, Javier; Yang, Chan Bing, and Zhang, Guoxiang; Guoxiang, Zhang
2005-01-14
A coupled model of groundwater flow, reactive solute transport and microbial processes for a fracture zone of the Aspo site at Sweden is presented. This is the model of the so-called Redox Zone Experiment aimed at evaluating the effects of tunnel construction on the geochemical conditions prevailing in a fracture granite. It is found that a model accounting for microbially-mediated geochemical processes is able to reproduce the unexpected measured increasing trends of dissolved sulfate and bicarbonate. The model is also useful for testing hypotheses regarding the role of microbial processes and evaluating the sensitivity of model results to changes in biochemical parameters.
Modeling biogeochemical reactive transport in a fracture zone
International Nuclear Information System (INIS)
Molinero, Jorge; Samper, Javier; Yang, Chan Bing; Zhang, Guoxiang; Guoxiang, Zhang
2005-01-01
A coupled model of groundwater flow, reactive solute transport and microbial processes for a fracture zone of the Aspo site at Sweden is presented. This is the model of the so-called Redox Zone Experiment aimed at evaluating the effects of tunnel construction on the geochemical conditions prevailing in a fracture granite. It is found that a model accounting for microbially-mediated geochemical processes is able to reproduce the unexpected measured increasing trends of dissolved sulfate and bicarbonate. The model is also useful for testing hypotheses regarding the role of microbial processes and evaluating the sensitivity of model results to changes in biochemical parameters
Lattice Boltzmann simulation of CO2 reactive transport in network fractured media
Tian, Zhiwei; Wang, Junye
2017-08-01
Carbon dioxide (CO2) geological sequestration plays an important role in mitigating CO2 emissions for climate change. Understanding interactions of the injected CO2 with network fractures and hydrocarbons is key for optimizing and controlling CO2 geological sequestration and evaluating its risks to ground water. However, there is a well-known, difficult process in simulating the dynamic interaction of fracture-matrix, such as dynamic change of matrix porosity, unsaturated processes in rock matrix, and effect of rock mineral properties. In this paper, we develop an explicit model of the fracture-matrix interactions using multilayer bounce-back treatment as a first attempt to simulate CO2 reactive transport in network fractured media through coupling the Dardis's LBM porous model for a new interface treatment. Two kinds of typical fracture networks in porous media are simulated: straight cross network fractures and interleaving network fractures. The reaction rate and porosity distribution are illustrated and well-matched patterns are found. The species concentration distribution and evolution with time steps are also analyzed and compared with different transport properties. The results demonstrate the capability of this model to investigate the complex processes of CO2 geological injection and reactive transport in network fractured media, such as dynamic change of matrix porosity.
Transport of secondary electrons and reactive species in ion tracks
Surdutovich, Eugene; Solov'yov, Andrey V.
2015-08-01
The transport of reactive species brought about by ions traversing tissue-like medium is analysed analytically. Secondary electrons ejected by ions are capable of ionizing other molecules; the transport of these generations of electrons is studied using the random walk approximation until these electrons remain ballistic. Then, the distribution of solvated electrons produced as a result of interaction of low-energy electrons with water molecules is obtained. The radial distribution of energy loss by ions and secondary electrons to the medium yields the initial radial dose distribution, which can be used as initial conditions for the predicted shock waves. The formation, diffusion, and chemical evolution of hydroxyl radicals in liquid water are studied as well. COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy.
Multi-dimensional simulations of core-collapse supernova explosions with CHIMERA
Messer, O. E. B.; Harris, J. A.; Hix, W. R.; Lentz, E. J.; Bruenn, S. W.; Mezzacappa, A.
2018-04-01
Unraveling the core-collapse supernova (CCSN) mechanism is a problem that remains essentially unsolved despite more than four decades of effort. Spherically symmetric models with otherwise high physical fidelity generally fail to produce explosions, and it is widely accepted that CCSNe are inherently multi-dimensional. Progress in realistic modeling has occurred recently through the availability of petascale platforms and the increasing sophistication of supernova codes. We will discuss our most recent work on understanding neutrino-driven CCSN explosions employing multi-dimensional neutrino-radiation hydrodynamics simulations with the Chimera code. We discuss the inputs and resulting outputs from these simulations, the role of neutrino radiation transport, and the importance of multi-dimensional fluid flows in shaping the explosions. We also highlight the production of 48Ca in long-running Chimera simulations.
International Nuclear Information System (INIS)
Fang, Yilin; Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E.; Lovley, Derek R.
2011-01-01
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species, multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
Neutrino radiation-hydrodynamics. General relativistic versus multidimensional supernova simulations
International Nuclear Information System (INIS)
Liebendoerfer, Matthias; Fischer, Tobias; Hempel, Matthias
2010-01-01
Recently, simulations of the collapse of massive stars showed that selected models of the QCD phase transitions to deconfined quarks during the early postbounce phase can trigger the supernova explosion that has been searched for over many years in spherically symmetric supernova models. Using sophisticated general relativistic Boltzmann neutrino transport, it was found that a characteristic neutrino signature is emitted that permits to falsify or identify this scenario in the next Galactic supernova event. On the other hand, more refined observations of past supernovae and progressing theoretical research in different supernova groups demonstrated that the effects of multidimensional fluid instabilities cannot be neglected in global models of the explosions of massive stars. We point to different efforts where neutrino transport and general relativistic effects are combined with multidimensional fluid instabilities in supernovae. With those, it will be possible to explore the gravitational wave emission as a potential second characteristic observable of the presence of quark matter in new-born neutron stars. (author)
Theory and application of deterministic multidimensional pointwise energy lattice physics methods
International Nuclear Information System (INIS)
Zerkle, M.L.
1999-01-01
The theory and application of deterministic, multidimensional, pointwise energy lattice physics methods are discussed. These methods may be used to solve the neutron transport equation in multidimensional geometries using near-continuous energy detail to calculate equivalent few-group diffusion theory constants that rigorously account for spatial and spectral self-shielding effects. A dual energy resolution slowing down algorithm is described which reduces the computer memory and disk storage requirements for the slowing down calculation. Results are presented for a 2D BWR pin cell depletion benchmark problem
COMSOL-PHREEQC: a tool for high performance numerical simulation of reactive transport phenomena
International Nuclear Information System (INIS)
Nardi, Albert; Vries, Luis Manuel de; Trinchero, Paolo; Idiart, Andres; Molinero, Jorge
2012-01-01
Document available in extended abstract form only. Comsol Multiphysics (COMSOL, from now on) is a powerful Finite Element software environment for the modelling and simulation of a large number of physics-based systems. The user can apply variables, expressions or numbers directly to solid and fluid domains, boundaries, edges and points, independently of the computational mesh. COMSOL then internally compiles a set of equations representing the entire model. The availability of extremely powerful pre and post processors makes COMSOL a numerical platform well known and extensively used in many branches of sciences and engineering. On the other hand, PHREEQC is a freely available computer program for simulating chemical reactions and transport processes in aqueous systems. It is perhaps the most widely used geochemical code in the scientific community and is openly distributed. The program is based on equilibrium chemistry of aqueous solutions interacting with minerals, gases, solid solutions, exchangers, and sorption surfaces, but also includes the capability to model kinetic reactions with rate equations that are user-specified in a very flexible way by means of Basic statements directly written in the input file. Here we present COMSOL-PHREEQC, a software interface able to communicate and couple these two powerful simulators by means of a Java interface. The methodology is based on Sequential Non Iterative Approach (SNIA), where PHREEQC is compiled as a dynamic subroutine (iPhreeqc) that is called by the interface to solve the geochemical system at every element of the finite element mesh of COMSOL. The numerical tool has been extensively verified by comparison with computed results of 1D, 2D and 3D benchmark examples solved with other reactive transport simulators. COMSOL-PHREEQC is parallelized so that CPU time can be highly optimized in multi-core processors or clusters. Then, fully 3D detailed reactive transport problems can be readily simulated by means of
DEFF Research Database (Denmark)
Binning, Philip John; Postma, Diederik Jan; Russel, T.F.
2007-01-01
Pyrite oxidation in unsaturated mine waste rock dumps and soils is limited by the supply of oxygen from the atmosphere. In models, oxygen transport through the subsurface is often assumed to be driven by diffusion. However, oxygen comprises 23.2% by mass of dry air, and when oxygen is consumed at...... parameters; for example, the time to approach steady state depends exponentially on the distance between the soil surface and the subsurface reactive zone. Copyright 2007 by the American Geophysical Union....... at depth in the unsaturated zone, a pressure gradient is created between the reactive zone and the ground surface, causing a substantial advective air flow into the subsurface. To determine the balance between advective and diffusive transport, a one-dimensional multicomponent unsaturated zone gas...
International Nuclear Information System (INIS)
Bacon, D.H.; White, M.D.; McGrail, B.P.
2000-01-01
The Hanford Site, in southeastern Washington State, has been used extensively to produce nuclear materials for the US strategic defense arsenal by the Department of Energy (DOE) and its predecessors, the US Atomic Energy Commission and the US Energy Research and Development Administration. A large inventory of radioactive and mixed waste has accumulated in 177 buried single- and double shell tanks. Liquid waste recovered from the tanks will be pretreated to separate the low-activity fraction from the high-level and transuranic wastes. Vitrification is the leading option for immobilization of these wastes, expected to produce approximately 550,000 metric tons of Low Activity Waste (LAW) glass. This total tonnage, based on nominal Na 2 O oxide loading of 20% by weight, is destined for disposal in a near-surface facility. Before disposal of the immobilized waste can proceed, the DOE must approve a performance assessment, a document that described the impacts, if any, of the disposal facility on public health and environmental resources. Studies have shown that release rates of radionuclides from the glass waste form by reaction with water determine the impacts of the disposal action more than any other independent parameter. This report describes the latest accomplishments in the development of a computational tool, Subsurface Transport Over Reactive Multiphases (STORM), Version 2, a general, coupled non-isothermal multiphase flow and reactive transport simulator. The underlying mathematics in STORM describe the rate of change of the solute concentrations of pore water in a variably saturated, non-isothermal porous medium, and the alteration of waste forms, packaging materials, backfill, and host rocks
Modelling reactive transport in a phosphogypsum dump, Venezia, Italia
Calcara, Massimo; Borgia, Andrea; Cattaneo, Laura; Bartolo, Sergio; Clemente, Gianni; Glauco Amoroso, Carlo; Lo Re, Fabio; Tozzato, Elena
2013-04-01
We develop a reactive-transport porous media flow model for a phosphogypsum dump located on the intertidal deposits of the Venetian Lagoon: 1. we construct a complex conceptual and geologic model from field data using the GMS™ graphical user interface; 2. the geological model is mapped onto a rectangular MODFLOW grid; 3. using the TMT2 FORTRAN90 code we translate this grid into the MESH, INCON and GENER input files for the TOUGH2 series of codes; 4. we run TOUGH-REACT to model flow and reactive transport in the dump and the sediments below it. The model includes 3 different dump materials (phosphogypsum, bituminous and hazardous wastes) with the pores saturated by specific fluids. The sediments below the dump are formed by an intertidal sequence of calcareous sands and silts, in addition to clays and organic deposits, all of which are initially saturated with lagoon salty waters. The recharge rain-water dilutes the dump fluids. In turn, the percolates from the dump react with the underlying sediments and the sea water that saturates them. Simulation results have been compared with chemical sampled analyses. In fact, in spite of the simplicity of our model we are able to show how the pH becomes neutral at a short distance below the dump, a fact observed during aquifer monitoring. The spatial and temporal evolution of dissolution and precipitation reactions occur in our model much alike reality. Mobility of some elements, such as divalent iron, are reduced by specific and concurrent conditions of pH from near-neutrality to moderately high values and positive redox potential; opposite conditions favour mobility of potentially toxic metals such as Cr, As Cd and Pb. Vertical movement are predominant. Trend should be therefore heavily influenced by pH and Eh values. If conditions are favourable to mobility, concentration of these substances in the bottom strata could be high. However, simulation suggest that the sediments tend to reduce the transport potential of
Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
Energy Technology Data Exchange (ETDEWEB)
Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L. [Universidad de A Coruna (Spain)
2000-07-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
Core2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
International Nuclear Information System (INIS)
Samper, J.; Juncosa, R.; Delgado, J.; Montenegro, L.
2000-01-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
Core 2D. A code for non-isothermal water flow and reactive solute transport. Users manual version 2
Energy Technology Data Exchange (ETDEWEB)
Samper, J; Juncosa, R; Delgado, J; Montenegro, L [Universidad de A Coruna (Spain)
2000-07-01
Understanding natural groundwater quality patterns, quantifying groundwater pollution and assessing the effects of waste disposal, require modeling tools accounting for water flow, and transport of heat and dissolved species as well as their complex interactions with solid and gases phases. This report contains the users manual of CORE ''2D Version V.2.0, a COde for modeling water flow (saturated and unsaturated), heat transport and multicomponent Reactive solute transport under both local chemical equilibrium and kinetic conditions. it is an updated and improved version of CORE-LE-2D V0 (Samper et al., 1988) which in turns is an extended version of TRANQUI, a previous reactive transport code (ENRESA, 1995). All these codes were developed within the context of Research Projects funded by ENRESA and the European Commission. (Author)
2016-06-01
aerobic cometabolism, reductive dechlorination evidence was reported from the toe of the plume, where TCE enters the Lower Lithologic Unit. The CSM of the...modeling in reactive transport: 50 years of artificial recharge in the Amsterdam Water Supply Dunes . J. Hydrology 454: 7-25. Khan, F. I., et al
Intercomparison of reactive transport models applied to degradation of a concrete / clay interface
International Nuclear Information System (INIS)
Burnol, A.; Blanc, P.; Tournassat, C.; Lassin, A.; Gaucher, E.C.
2005-01-01
Full text of publication follows: Assuming a future disposal of spent nuclear fuel in deep geologic formation of Callovian- Oxfordian argillite in France, concrete will be used extensively to construct the disposal chambers in the host formation, and also as radioactive waste containment material. After being sealed, the repository will become saturated with interstitial waters from the Callovian-Oxfordian argillite, which will produce high pH solutions through interaction with the concrete. The aggressiveness of these alkaline solutions may weaken the clay's confinement properties (bentonite and argillite) with respect to long-lived radionuclides by change of the mineralogy. Conversely, the clayey formation with a high partial pressure of CO 2 represents an aggressive media for the concrete. The hydrogeological and chemical reactions of deep-underground systems are therefore intimately coupled and reactive transport models are increasingly used for performance assessment of nuclear waste disposal [1]. The main objective of this study is to present an intercomparison study using different reactive transport codes, where among PHREEQC1D [2], PHAST [3] and TOUGHREACT [4] applied to determine, in space and time, the extension of the alkaline perturbation and the associated degradation of concrete. The calculations were carried out after the definition of a complete mineralogy for both media. The experimental work made in the European Ecoclay II project [5] allowed a selection of reaction paths and of new phases for the thermodynamic database. Calculations were carried out over a simulated period of 100,000 years at different temperatures. Results of the different codes are compared and discussed. [1] De Windt L., Burnol A., Montarnal P., Van Der Lee.J., (2003) Intercomparison of reactive transport models applied to UO 2 oxidative dissolution and uranium migration., Journal of Contaminant Hydrology, 61, 1-4, 303-312; [2] Parkhurst D.L., Appelo C.A.J. (1999) - User
Joh, C.H.; Arentze, T.A.; Timmermans, H.J.P.
2001-01-01
The application of a multidimensional sequence alignment method for classifying activity travel patterns is reported. The method was developed as an alternative to the existing classification methods suggested in the transportation literature. The relevance of the multidimensional sequence alignment
In-facility transport code review
International Nuclear Information System (INIS)
Spore, J.W.; Boyack, B.E.; Bohl, W.R.
1996-07-01
The following computer codes were reviewed by the In-Facility Transport Working Group for application to the in-facility transport of radioactive aerosols, flammable gases, and/or toxic gases: (1) CONTAIN, (2) FIRAC, (3) GASFLOW, (4) KBERT, and (5) MELCOR. Based on the review criteria as described in this report and the versions of each code available at the time of the review, MELCOR is the best code for the analysis of in-facility transport when multidimensional effects are not significant. When multi-dimensional effects are significant, GASFLOW should be used
Bizjack, M.; Johnson, T. M.; Druhan, J. L.; Shiel, A. E.
2015-12-01
We report a numerical reactive transport model which explicitly incorporates the effectively stable isotopes of uranium (U) and the factors that influence their partitioning in bioactive systems. The model reproduces trends observed in U isotope ratios and concentration measurements from a field experiment, thereby improving interpretations of U isotope ratios as a tracer for U reactive transport. A major factor contributing to U storage and transport is its redox state, which is commonly influenced by the availability of organic carbon to support metal-reducing microbial communities. Both laboratory and field experiments have demonstrated that biogenic reduction of U(VI) fractionates the stable isotope ratio 238U/235U, producing an isotopically heavy solid U(IV) product. It has also been shown that other common reactive transport processes involving U do not fractionate isotopes to a consistently measurable level, which suggests the capacity to quantify the extent of bioreduction occurring in groundwater containing U using 238U/235U ratios. A recent study of a U bioremediation experiment at the Rifle IFRC site (Colorado, USA) applied Rayleigh distillation models to quantify U stable isotope fractionation observed during acetate amendment. The application of these simplified models were fit to the observations only by invoking a "memory-effect," or a constant source of low-concentration, unfractionated U(VI). In order to more accurately interpret the measured U isotope ratios, we present a multi-component reactive transport model using the CrunchTope software. This approach is capable of quantifying the cycling and partitioning of individual U isotopes through a realistic network of transport and reaction pathways including reduction, oxidation, and microbial growth. The model incorporates physical heterogeneity of the aquifer sediments through zones of decreased permeability, which replicate the observed bromide tracer, major ion chemistry, U concentration, and U
Yeh, G. T.; Tsai, C. H.
2015-12-01
This paper presents the development of a THMC (thermal-hydrology-mechanics-chemistry) process model in variably saturated media. The governing equations for variably saturated flow and reactive chemical transport are obtained based on the mass conservation principle of species transport supplemented with Darcy's law, constraint of species concentration, equation of states, and constitutive law of K-S-P (Conductivity-Degree of Saturation-Capillary Pressure). The thermal transport equation is obtained based on the conservation of energy. The geo-mechanic displacement is obtained based on the assumption of equilibrium. Conventionally, these equations have been implicitly coupled via the calculations of secondary variables based on primary variables. The mechanisms of coupling have not been obvious. In this paper, governing equations are explicitly coupled for all primary variables. The coupling is accomplished via the storage coefficients, transporting velocities, and conduction-dispersion-diffusion coefficient tensor; one set each for every primary variable. With this new system of equations, the coupling mechanisms become clear. Physical interpretations of every term in the coupled equations will be discussed. Examples will be employed to demonstrate the intuition and superiority of these explicit coupling approaches. Keywords: Variably Saturated Flow, Thermal Transport, Geo-mechanics, Reactive Transport.
Multi-dimensional Fuzzy Euler Approximation
Directory of Open Access Journals (Sweden)
Yangyang Hao
2017-05-01
Full Text Available Multi-dimensional Fuzzy differential equations driven by multi-dimen-sional Liu process, have been intensively applied in many fields. However, we can not obtain the analytic solution of every multi-dimensional fuzzy differential equation. Then, it is necessary for us to discuss the numerical results in most situations. This paper focuses on the numerical method of multi-dimensional fuzzy differential equations. The multi-dimensional fuzzy Taylor expansion is given, based on this expansion, a numerical method which is designed for giving the solution of multi-dimensional fuzzy differential equation via multi-dimensional Euler method will be presented, and its local convergence also will be discussed.
Experimental Study and Reactive Transport Modeling of Boric Acid Leaching of Concrete
Directory of Open Access Journals (Sweden)
Chiang K.-T. K.
2013-07-01
Full Text Available Borated water leakage through spent fuel pools (SFPs at pressurized water reactors is a concern because it could cause corrosion of reinforcement steel in the concrete structure, compromise the integrity of the structure, or cause unmonitored releases of contaminated water to the environment. Experimental data indicate that pH is a critical parameter that determines the corrosion susceptibility of rebar in borated water and the degree of concrete degradation by boric acid leaching. In this study, reactive transport modeling of concrete leaching by borated water was performed to provide information on the solution pH in the concrete crack or matrix and the degree of concrete degradation at different locations of an SFP concrete structure exposed to borated water. Simulations up to 100 years were performed using different boric acid concentrations, crack apertures, and solution flow rates. Concrete cylinders were immersed in boric acid solutions for several months and the mineralogical changes and boric acid penetration in the concrete cylinder were evaluated as a function of time. The depths of concrete leaching by boric acid solution derived from the reactive transport simulations were compared with the measured boric acid penetration depth.
Fang, Yilin; Scheibe, Timothy D; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E; Lovley, Derek R
2011-03-25
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
Fang, Yilin; Scheibe, Timothy D.; Mahadevan, Radhakrishnan; Garg, Srinath; Long, Philip E.; Lovley, Derek R.
2011-03-01
The activity of microorganisms often plays an important role in dynamic natural attenuation or engineered bioremediation of subsurface contaminants, such as chlorinated solvents, metals, and radionuclides. To evaluate and/or design bioremediated systems, quantitative reactive transport models are needed. State-of-the-art reactive transport models often ignore the microbial effects or simulate the microbial effects with static growth yield and constant reaction rate parameters over simulated conditions, while in reality microorganisms can dynamically modify their functionality (such as utilization of alternative respiratory pathways) in response to spatial and temporal variations in environmental conditions. Constraint-based genome-scale microbial in silico models, using genomic data and multiple-pathway reaction networks, have been shown to be able to simulate transient metabolism of some well studied microorganisms and identify growth rate, substrate uptake rates, and byproduct rates under different growth conditions. These rates can be identified and used to replace specific microbially-mediated reaction rates in a reactive transport model using local geochemical conditions as constraints. We previously demonstrated the potential utility of integrating a constraint-based microbial metabolism model with a reactive transport simulator as applied to bioremediation of uranium in groundwater. However, that work relied on an indirect coupling approach that was effective for initial demonstration but may not be extensible to more complex problems that are of significant interest (e.g., communities of microbial species and multiple constraining variables). Here, we extend that work by presenting and demonstrating a method of directly integrating a reactive transport model (FORTRAN code) with constraint-based in silico models solved with IBM ILOG CPLEX linear optimizer base system (C library). The models were integrated with BABEL, a language interoperability tool. The
International Nuclear Information System (INIS)
Sarkar, Sohini; Kosson, David S.; Brown, Kevin; Garrabrants, Andrew C.; Meeussen, Hans; Van der Sloot, Hans
2013-01-01
A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)
Energy Technology Data Exchange (ETDEWEB)
Sarkar, Sohini; Kosson, David S.; Brown, Kevin; Garrabrants, Andrew C. [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Vanderbilt University, Nashville, TN (United States); Meeussen, Hans [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Nuclear Research and Consultancy Group, Petten (Netherlands); Van der Sloot, Hans [Consortium for Risk Assessment with Stakeholder Participation - CRESP, Hans Van der Sloot Consultancy (Netherlands)
2013-07-01
A numerical simulation framework is presented in this paper for estimating evolution of pH and release of major species from grout within high-level waste tanks after closure. This model was developed as part of the Cementitious Barriers Partnership. The reactive transport model consists of two parts - (1) transport of species, and (2) chemical reactions. The closure grout can be assumed to have varying extents of cracking and composition for performance assessment purposes. The partially or completely degraded grouted tank is idealized as a dual regime system comprising of a mobile region having solid materials with cracks and macro-pores, and an immobile/stagnant region having solid matrix with micropores. The transport profiles of the species are calculated by incorporating advection of species through the mobile region, diffusion of species through the immobile/stagnant region, and exchange of species between the mobile and immobile regions. A geochemical speciation code in conjunction with the pH dependent test data for a grout material is used to obtain a mineral set that best describes the trends in the test data of the major species. The dual regime reactive transport model predictions are compared with the release data from an up-flow column percolation test. The coupled model is then used to assess effects of crack state of the structure, rate and composition of the infiltrating water on the pH evolution at the grout-waste interface. The coupled reactive transport model developed in this work can be used as part of the performance assessment process for evaluating potential risks from leaching of a cracked tank containing elements of human health and environmental concern. (authors)
Image-based modeling of flow and reactive transport in porous media
Qin, Chao-Zhong; Hoang, Tuong; Verhoosel, Clemens V.; Harald van Brummelen, E.; Wijshoff, Herman M. A.
2017-04-01
Due to the availability of powerful computational resources and high-resolution acquisition of material structures, image-based modeling has become an important tool in studying pore-scale flow and transport processes in porous media [Scheibe et al., 2015]. It is also playing an important role in the upscaling study for developing macroscale porous media models. Usually, the pore structure of a porous medium is directly discretized by the voxels obtained from visualization techniques (e.g. micro CT scanning), which can avoid the complex generation of computational mesh. However, this discretization may considerably overestimate the interfacial areas between solid walls and pore spaces. As a result, it could impact the numerical predictions of reactive transport and immiscible two-phase flow. In this work, two types of image-based models are used to study single-phase flow and reactive transport in a porous medium of sintered glass beads. One model is from a well-established voxel-based simulation tool. The other is based on the mixed isogeometric finite cell method [Hoang et al., 2016], which has been implemented in the open source Nutils (http://www.nutils.org). The finite cell method can be used in combination with isogeometric analysis to enable the higher-order discretization of problems on complex volumetric domains. A particularly interesting application of this immersed simulation technique is image-based analysis, where the geometry is smoothly approximated by segmentation of a B-spline level set approximation of scan data [Verhoosel et al., 2015]. Through a number of case studies by the two models, we will show the advantages and disadvantages of each model in modeling single-phase flow and reactive transport in porous media. Particularly, we will highlight the importance of preserving high-resolution interfaces between solid walls and pore spaces in image-based modeling of porous media. References Hoang, T., C. V. Verhoosel, F. Auricchio, E. H. van
Effect of static porosity fluctuations on reactive transport in a porous medium
L'Heureux, Ivan
2018-02-01
Reaction-diffusive transport phenomena in porous media are ubiquitous in engineering applications, biological and geochemical systems. The porosity field is usually random in space, but most models consider the porosity field as a well-defined deterministic function of space and time and ignore the porosity fluctuations. They use a reaction-diffusion equation written in terms of an average porosity and average concentration fields. In this contribution, we treat explicitly the effect of spatial porosity fluctuations on the dynamics of a concentration field for the case of a one-dimensional reaction-transport system with nonlinear kinetics. Three basic assumptions are considered. (i) The porosity fluctuations are assumed to have Gaussian properties and an arbitrary variance; (ii) we assume that the noise correlation length is small compared to the relevant macroscopic length scale; (iii) and we assume that the kinetics of the reactive term in the equations for the fluctuations is a self-consistently determined constant. Elimination of the fluctuating part of the concentration field from the dynamics leads to a renormalized equation involving the average concentration field. It is shown that the noise leads to a renormalized (generally smaller) diffusion coefficient and renormalized kinetics. Within the framework of the approximations used, numerical simulations are in agreement with our theory. We show that the porosity fluctuations may have a significant effect on the transport of a reactive species, even in the case of a homogeneous average porosity.
Progress in multidimensional neutron transport computation
International Nuclear Information System (INIS)
Lewis, E.E.
1977-01-01
The methods available for solution of the time-independent neutron transport problems arising in the analysis of nuclear systems are examined. The merits of deterministic and Monte Carlo methods are briefly compared. The capabilities of deterministic computational methods derived from the first-order form of the transport equation, from the second-order even-parity form of this equation, and from integral transport formulations are discussed in some detail. Emphasis is placed on the approaches for dealing with the related problems of computer memory requirements, computational cost, and achievable accuracy. Attention is directed to some areas where problems exist currently and where the need for further work appears to be particularly warranted
Energy Technology Data Exchange (ETDEWEB)
Wu, Y.; Ajo-Franklin, J.B.; Spycher, N.; Hubbard, S.S.; Zhang, G.; Williams, K.H.; Taylor, J.; Fujita, Y.; Smith, R.
2011-07-15
Ureolytically-driven calcium carbonate precipitation is the basis for a promising in-situ remediation method for sequestration of divalent radionuclide and trace metal ions. It has also been proposed for use in geotechnical engineering for soil strengthening applications. Monitoring the occurrence, spatial distribution, and temporal evolution of calcium carbonate precipitation in the subsurface is critical for evaluating the performance of this technology and for developing the predictive models needed for engineering application. In this study, we conducted laboratory column experiments using natural sediment and groundwater to evaluate the utility of geophysical (complex resistivity and seismic) sensing methods, dynamic synchrotron x-ray computed tomography (micro-CT), and reactive transport modeling for tracking ureolytically-driven calcium carbonate precipitation processes under site relevant conditions. Reactive transport modeling with TOUGHREACT successfully simulated the changes of the major chemical components during urea hydrolysis. Even at the relatively low level of urea hydrolysis observed in the experiments, the simulations predicted an enhanced calcium carbonate precipitation rate that was 3-4 times greater than the baseline level. Reactive transport modeling results, geophysical monitoring data and micro-CT imaging correlated well with reaction processes validated by geochemical data. In particular, increases in ionic strength of the pore fluid during urea hydrolysis predicted by geochemical modeling were successfully captured by electrical conductivity measurements and confirmed by geochemical data. The low level of urea hydrolysis and calcium carbonate precipitation suggested by the model and geochemical data was corroborated by minor changes in seismic P-wave velocity measurements and micro-CT imaging; the latter provided direct evidence of sparsely distributed calcium carbonate precipitation. Ion exchange processes promoted through NH{sub 4}{sup
Reactive transport modeling of the ABM experiment with Comsol Multiphysics
International Nuclear Information System (INIS)
Pekala, Marek; Idiart, Andres; Arcos, David
2012-01-01
Document available in extended abstract form only. The Swedish Organisation for Radioactive Waste Disposal (SKB) is considering disposal of the High Level Waste in a deep underground repository in a crystalline rock. According to the disposal concept, bentonite clay will be used in the near-field of the waste packages as buffer material. From solute transport point of view, the bentonite buffer is expected to provide a favourable environment, where radionuclide migration would be limited to slow diffusion and further retarded by sorption. In the KBS-3 repository design, the MX-80 bentonite is the reference buffer material. However, SKB has also been investigating alternative buffer materials. To this end, the field experiment Alternative Buffer Materials (ABM) was started at the Aespoe URL in 2006. Three packages of eleven different compacted bentonite blocks in different configurations have been tested over varying time scales. The packages with outer diameter of 0.28 m were deposited into 3 meter deep boreholes. After installation, packages were saturated and heated differently to target values. This contribution concerns the evolution of Package 1, which was initiated in December 2006 and ran for about 2.5 years. Post-mortem examination after retrieval showed that the initially contrasting chloride concentrations and cation-exchanger compositions between different bentonite blocks became significantly homogenised. It is thought that this behaviour could be explained as a first approximation by diffusion of major ions between the bentonite blocks coupled with cation-exchange. In this work, a modelling study to verify this hypothesis has been undertaken. In addition, the feasibility of implementing a reactive transport model into the Finite Element code COMSOL Multiphysics has been tested. The model considers a two-dimensional axisymmetric geometry of the depositional borehole, and includes coupled diffusion and cation-exchange of Na, K, Ca and Mg (as a chloride
Numerical simulation of two-phase multicomponent flow with reactive transport in porous media
International Nuclear Information System (INIS)
Vostrikov, Viatcheslav
2014-01-01
The subject of this thesis is the numerical simulation of water-gas flow in the subsurface together with chemical reactions. The subject has applications to various situations in environmental modeling, though we are mainly concerned with CO 2 storage in deep saline aquifers. In Carbon Capture and Storage studies, CO 2 is first captured from its sources of origin, transport in liquefied form and injected as gas under high pressure in deep saline aquifers. Numerical simulation is an essential tool to make sure that gaseous CO 2 will remain trapped for several hundreds or thousands of years. Several trapping mechanisms can be brought to bear to achieve this goal. Of particular interest in this thesis are solubility trapping (whereby gaseous CO 2 dissolves in the brine as it moves upward) and, on a longer term, mineral trapping (which causes CO 2 to react with the surrounding rock to form minerals such as calcite). Thus, understanding how CO 2 reacts chemically becomes an important issue for its long term fate. The thesis is composed of four chapters. The first chapter is an introduction to multicomponent two-phase flow in porous media, with or without chemical reactions. It presents a review of the existing literature, and gives an outline of the whole thesis. Chapter 2 presents a quantitative discussion of the physical and chemical phenomena involved, and of their mathematical modeling. The model we use is that of two-phase two-component flow in porous media, coupled to reactive transport. This model leads to a large set of partial differential equations, coupled to algebraic equations, describing the evolution of the concentration of each species at each grid point. A direct solution of this problem (a fully coupled solution) is possible, but presents many difficulties form the numerical point of view. Moreover, it makes it difficult to reuse codes already written, and validated, to simulate the simpler phenomena of (uncoupled) two-phase flow and reactive transport
Yang, Jianwen
2012-04-01
A general analytical solution is derived by using the Laplace transformation to describe transient reactive silica transport in a conceptualized 2-D system involving a set of parallel fractures embedded in an impermeable host rock matrix, taking into account of hydrodynamic dispersion and advection of silica transport along the fractures, molecular diffusion from each fracture to the intervening rock matrix, and dissolution of quartz. A special analytical solution is also developed by ignoring the longitudinal hydrodynamic dispersion term but remaining other conditions the same. The general and special solutions are in the form of a double infinite integral and a single infinite integral, respectively, and can be evaluated using Gauss-Legendre quadrature technique. A simple criterion is developed to determine under what conditions the general analytical solution can be approximated by the special analytical solution. It is proved analytically that the general solution always lags behind the special solution, unless a dimensionless parameter is less than a critical value. Several illustrative calculations are undertaken to demonstrate the effect of fracture spacing, fracture aperture and fluid flow rate on silica transport. The analytical solutions developed here can serve as a benchmark to validate numerical models that simulate reactive mass transport in fractured porous media.
Post Audit of a Field Scale Reactive Transport Model of Uranium at a Former Mill Site
Curtis, G. P.
2015-12-01
Reactive transport of hexavalent uranium (U(VI)) in a shallow alluvial aquifer at a former uranium mill tailings site near Naturita CO has been monitored for nearly 30 years by the US Department of Energy and the US Geological Survey. Groundwater at the site has high concentrations of chloride, alkalinity and U(VI) as a owing to ore processing at the site from 1941 to 1974. We previously calibrated a multicomponent reactive transport model to data collected at the site from 1986 to 2001. A two dimensional nonreactive transport model used a uniform hydraulic conductivity which was estimated from observed chloride concentrations and tritium helium age dates. A reactive transport model for the 2km long site was developed by including an equilibrium U(VI) surface complexation model calibrated to laboratory data and calcite equilibrium. The calibrated model reproduced both nonreactive tracers as well as the observed U(VI), pH and alkalinity. Forward simulations for the period 2002-2015 conducted with the calibrated model predict significantly faster natural attenuation of U(VI) concentrations than has been observed by the persistent high U(VI) concentrations at the site. Alternative modeling approaches are being evaluating evaluated using recent data to determine if the persistence can be explained by multirate mass transfer models developed from experimental observations at the column scale(~0.2m), the laboratory tank scale (~2m), the field tracer test scale (~1-4m) or geophysical observation scale (~1-5m). Results of this comparison should provide insight into the persistence of U(VI) plumes and improved management options.
Singh, Rajveer; Sivaguru, Mayandi; Fried, Glenn A; Fouke, Bruce W; Sanford, Robert A; Carrera, Martin; Werth, Charles J
2017-09-01
Physical, chemical, and biological interactions between groundwater and sedimentary rock directly control the fundamental subsurface properties such as porosity, permeability, and flow. This is true for a variety of subsurface scenarios, ranging from shallow groundwater aquifers to deeply buried hydrocarbon reservoirs. Microfluidic flow cells are now commonly being used to study these processes at the pore scale in simplified pore structures meant to mimic subsurface reservoirs. However, these micromodels are typically fabricated from glass, silicon, or polydimethylsiloxane (PDMS), and are therefore incapable of replicating the geochemical reactivity and complex three-dimensional pore networks present in subsurface lithologies. To address these limitations, we developed a new microfluidic experimental test bed, herein called the Real Rock-Microfluidic Flow Cell (RR-MFC). A porous 500μm-thick real rock sample of the Clair Group sandstone from a subsurface hydrocarbon reservoir of the North Sea was prepared and mounted inside a PDMS microfluidic channel, creating a dynamic flow-through experimental platform for real-time tracking of subsurface reactive transport. Transmitted and reflected microscopy, cathodoluminescence microscopy, Raman spectroscopy, and confocal laser microscopy techniques were used to (1) determine the mineralogy, geochemistry, and pore networks within the sandstone inserted in the RR-MFC, (2) analyze non-reactive tracer breakthrough in two- and (depth-limited) three-dimensions, and (3) characterize multiphase flow. The RR-MFC is the first microfluidic experimental platform that allows direct visualization of flow and transport in the pore space of a real subsurface reservoir rock sample, and holds potential to advance our understandings of reactive transport and other subsurface processes relevant to pollutant transport and cleanup in groundwater, as well as energy recovery. Copyright © 2017 Elsevier B.V. All rights reserved.
Multidimensional, multiphysics simulations of core-collapse supernovae
Energy Technology Data Exchange (ETDEWEB)
Messer, O E B [National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6008 (United States); Bruenn, S W [Department of Physics, Florida Atlantic University, Boca Raton, FL 33431-0991 (United States); Blondin, J M [Department of Physics, North Carolina State University, Raleigh, NC 27695-8202 (United States); Hix, W R; Mezzacappa, A [Physics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6354 (United States)
2008-07-15
CHIMERA is a multi-dimensional radiation hydrodynamics code designed to study core-collapse supernovae. The code is made up of three essentially independent parts: a hydrodynamics module, a nuclear burning module, and a neutrino transport solver combined within an operator-split approach. We review the code's architecture and some recently improved implementations used in the code. We also briefly discuss preliminary results obtained with the code in three spatial dimensions.
van Breukelen, B.M.; Griffioen, J.; Roling, W.F.M.; van Verseveld, H.W.
2004-01-01
The biogeochemical processes governing leachate attenuation inside a landfill leachate plume (Banisveld, the Netherlands) were revealed and quantified using the 1D reactive transport model PHREEQC-2. Biodegradation of dissolved organic carbon (DOC) was simulated assuming first-order oxidation of two
Energy Technology Data Exchange (ETDEWEB)
Zhang, Guoxiang; Zheng, Zuoping; Wan, Jiamin
2004-01-28
Concentrated aqueous solutions (CAS) have unique thermodynamic and physical properties. Chemical components in CAS are incompletely dissociated, especially those containing divalent or polyvalent ions. The problem is further complicated by the interaction between CAS flow processes and the naturally heterogeneous sediments. As the CAS migrates through the porous media, the composition may be altered subject to fluid-rock interactions. To effectively model reactive transport of CAS, we must take into account ion-interaction. A combination of the Pitzer ion-interaction and the ion-association model would be an appropriate way to deal with multiple-component systems if the Pitzer' parameters and thermodynamic data of dissolved components and the related minerals are available. To quantify the complicated coupling of CAS flow and transport, as well as the involved chemical reactions in natural and engineered systems, we have substantially extended an existing reactive biogeochemical transport code, BIO-CORE{sup 2D}{copyright}, by incorporating a comprehensive Pitzer ion-interaction model. In the present paper, the model, and two test cases against measured data were briefly introduced. Finally we present an application to simulate a laboratory column experiment studying the leakage of the high alkaline waste fluid stored in Hanford (a site of the U.S. Department of Energy, located in Washington State, USA). With the Pitzer ion-interaction ionic activity model, our simulation captures measured pH evolution. The simulation indicates that all the reactions controlling the pH evolution, including cation exchanges, mineral precipitation and dissolution, are coupled.
Bertuzzo, E.; Maritan, A.; Gatto, M.; Rodriguez-Iturbe, I.; Rinaldo, A.
2007-04-01
Moving from a recent quantitative model of the US colonization in the 19th century that relies on analytical and numerical results of reactive-diffusive transport on fractal river networks, this paper considers its generalization to include an embedded flow direction which biases transport. We explore the properties of biased reaction-dispersal models, in which the reaction rates are described by a logistic equation. The relevance of the work is related to the prediction of the role of hydrologic controls on invasion processes (of species, populations, propagules, or infective agents, depending on the specifics of reaction and transport) occurring in river basins. Exact solutions are obtained along with general numerical solutions, which are applied to fractal constructs like Peano basins and real rivers. We also explore similarities and departures from different one-dimensional invasion models where a bias is added to both the diffusion and the telegraph equations, considering their respective ecological insight. We find that the geometrical constraints imposed by the fractal networks imply strong corrections on the speed of traveling fronts that can be enhanced or smoothed by the bias. Applications to real river networks show that the chief morphological parameters affecting the front speed are those characterizing the node-to-node distances measured along the network structure. The spatial density and number of reactive sites thus prove to be a vital hydrologic control on invasions. We argue that our solutions, currently tied to the validity of the logistic growth, might be relevant to the general study of species' spreading along ecological corridors defined by the river network structure.
Multidimensional Heat Conduction
DEFF Research Database (Denmark)
Rode, Carsten
1998-01-01
Analytical theory of multidimensional heat conduction. General heat conduction equation in three dimensions. Steay state, analytical solutions. The Laplace equation. Method of separation of variables. Principle of superposition. Shape factors. Transient, multidimensional heat conduction....
Reactive transport modeling in the subsurface environment with OGS-IPhreeqc
He, Wenkui; Beyer, Christof; Fleckenstein, Jan; Jang, Eunseon; Kalbacher, Thomas; Naumov, Dimitri; Shao, Haibing; Wang, Wenqing; Kolditz, Olaf
2015-04-01
Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over
Serpentinization as a reactive transport process: The brucite silicification reaction
Tutolo, Benjamin M.; Luhmann, Andrew J.; Tosca, Nicholas J.; Seyfried, William E.
2018-02-01
Serpentinization plays a fundamental role in the biogeochemical and tectonic evolution of the Earth and perhaps many other rocky planetary bodies. Yet, geochemical models still fail to produce accurate predictions of the various modes of serpentinization, which limits our ability to predict a variety of related geological phenomena over many spatial and temporal scales. Here, we use kinetic and reactive transport experiments to parameterize the brucite silicification reaction and provide fundamental constraints on SiO2 transport during serpentinization. We show that, at temperatures characteristic of the sub-seafloor at the serpentinite-hosted Lost City Hydrothermal Field (150 °C), the assembly of Si tetrahedra onto MgOH2 (i.e., brucite) surfaces is a rate-limiting elementary reaction in the production of serpentine and/or talc from olivine. Moreover, this reaction is exponentially dependent on the activity of aqueous silica (a SiO2 (aq)), such that it can be calculated according to the rate law:
DEFF Research Database (Denmark)
Christensen, Flemming Damgaard; Engesgaard, Peter Knudegaard; Kipp, K.L.
2001-01-01
Previous investigations on seawater intrusion have mainly focused on either the physical density flow system with transport of a single non-reactive species or focused on the geochemical aspects neglecting density effects. This study focuses on both the geochemical and physical aspects of seawate...
Semianalytical solutions of radioactive or reactive tracer transport in layered fractured media
International Nuclear Information System (INIS)
Moridis, G.J.; Bodvarsson, G.S.
2001-01-01
In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive tracers (solutes or colloids) through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the matrix account for (a) diffusion, (b) surface diffusion (for solutes only), (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first order chemical reactions. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Additionally, the colloid transport equations account for straining and velocity adjustments related to the colloidal size. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of 3 H, 237 Np and 239 Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity. 239 Pu colloid transport problems in multilayered systems indicate significant colloid accumulations at straining interfaces but much faster transport of the colloid than the corresponding strongly sorbing solute species
International Nuclear Information System (INIS)
Le Tellier, R.; Fournier, D.; Suteau, C.
2011-01-01
Within the framework of a Discontinuous Galerkin spatial approximation of the multigroup discrete ordinates transport equation, we present a generalization of the exact standard perturbation formula that takes into account spatial discretization-induced reactivity changes. It encompasses in two separate contributions the nuclear data-induced reactivity change and the reactivity modification induced by two different spatial discretizations. The two potential uses of such a formulation when considering adaptive mesh refinement are discussed, and numerical results on a simple two-group Cartesian two-dimensional benchmark are provided. In particular, such a formulation is shown to be useful to filter out a more accurate estimate of nuclear data-related reactivity effects from initial and perturbed calculations based on independent adaptation processes. (authors)
Reactive transport modelling of a heating and radiation experiment in the Boom clay (Belgium)
International Nuclear Information System (INIS)
Montenegro, L.; Samper, J.; Delgado, J.
2003-01-01
Most countries around the world consider Deep Geological Repositories (DGR) as the most safe option for the final disposal of high level radioactive waste (HLW). DGR is based on adopting a system of multiple barriers between the HLW and the biosphere. Underground laboratories provide information about the behaviour of these barriers at real conditions. Here we present a reactive transport model for the CERBERUS experiment performed at the HADES underground laboratory at Mol (Belgium) in order to characterize the thermal (T), hydrodynamic (H) and geochemical (G) behaviour of the Boon clay. This experiment is unique because it addresses the combined effect of heat and radiation produced by the storage of HLW in a DGR. Reactive transport models which are solved with CORE, are used to perform quantitative predictions of Boom clay thermo-hydro-geochemical (THG) behaviour. Numerical results indicate that heat and radiation cause a slight oxidation near of the radioactive source, pyrite dissolution, a pH decrease and slight changes in the pore water chemical composition of the Boom clay. (Author) 33 refs
Multidimensional high harmonic spectroscopy
International Nuclear Information System (INIS)
Bruner, Barry D; Soifer, Hadas; Shafir, Dror; Dudovich, Nirit; Serbinenko, Valeria; Smirnova, Olga
2015-01-01
High harmonic generation (HHG) has opened up a new frontier in ultrafast science where attosecond time resolution and Angstrom spatial resolution are accessible in a single measurement. However, reconstructing the dynamics under study is limited by the multiple degrees of freedom involved in strong field interactions. In this paper we describe a new class of measurement schemes for resolving attosecond dynamics, integrating perturbative nonlinear optics with strong-field physics. These approaches serve as a basis for multidimensional high harmonic spectroscopy. Specifically, we show that multidimensional high harmonic spectroscopy can measure tunnel ionization dynamics with high precision, and resolves the interference between multiple ionization channels. In addition, we show how multidimensional HHG can function as a type of lock-in amplifier measurement. Similar to multi-dimensional approaches in nonlinear optical spectroscopy that have resolved correlated femtosecond dynamics, multi-dimensional high harmonic spectroscopy reveals the underlying complex dynamics behind attosecond scale phenomena. (paper)
Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)
International Nuclear Information System (INIS)
Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens
2010-01-01
Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas
Reactive Transport and Coupled THM Processes in Engineering Barrier Systems (EBS)
Energy Technology Data Exchange (ETDEWEB)
Steefel, Carl; Rutqvist, Jonny; Tsang, Chin-Fu; Liu, Hui-Hai; Sonnenthal, Eric; Houseworth, Jim; Birkholzer, Jens
2010-08-31
Geological repositories for disposal of high-level nuclear wastes generally rely on a multi-barrier system to isolate radioactive wastes from the biosphere. The multi-barrier system typically consists of a natural barrier system, including repository host rock and its surrounding subsurface environment, and an engineering barrier system (EBS). EBS represents the man-made, engineered materials placed within a repository, including the waste form, waste canisters, buffer materials, backfill and seals (OECD, 2003). EBS plays a significant role in the containment and long-term retardation of radionuclide release. EBS is involved in complex thermal, hydrogeological, mechanical, chemical and biological processes, such as heat release due to radionuclide decay, multiphase flow (including gas release due to canister corrosion), swelling of buffer materials, radionuclide diffusive transport, waste dissolution and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) for EBS and the entire repository. Within the EBS group of Used Fuel Disposition (UFD) Campaign, LBNL is currently focused on (1) thermal-hydraulic-mechanical-chemical (THMC) processes in buffer materials (bentonite) and (2) diffusive transport in EBS associated with clay host rock, with a long-term goal to develop a full understanding of (and needed modeling capabilities to simulate) impacts of coupled processes on radionuclide transport in different components of EBS, as well as the interaction between near-field host rock (e.g., clay) and EBS and how they effect radionuclide release. This final report documents the progress that LBNL has made in its focus areas. Specifically, Section 2 summarizes progress on literature review for THMC processes and reactive-diffusive radionuclide transport in bentonite. The literature review provides a picture of the state-of-the-art of the relevant research areas
Tommasi, Andréa; Vauchez, Alain; Ionov, Dmitri A.
2008-07-01
Partial melting and reactive melt transport may change the composition, microstructures, and physical properties of mantle rocks. Here we explore the relations between deformation and reactive melt transport through detailed microstructural analysis and crystallographic orientation measurements in spinel peridotite xenoliths that sample the shallow lithospheric mantle beneath the southeastern rim of the Siberian craton. These xenoliths have coarse-grained, annealed microstructures and show petrographic and chemical evidence for variable degrees of reaction with silicate melts and fluids, notably Fe-enrichment and crystallization of metasomatic clinopyroxene (cpx). Olivine crystal preferred orientations (CPO) range from strong to weak. [010]-fiber patterns, characterized by a point concentration of [010] normal to the foliation and by dispersion of [100] in the foliation plane with a weak maximum parallel to the lineation, predominate relative to the [100]-fiber patterns usually observed in lithospheric mantle xenoliths and peridotite massifs. Variations in olivine CPO patterns or intensity are not correlated with modal and chemical compositions. This, together with the analysis of microstructures, suggests that reactive melt percolation postdated both deformation and static recrystallization. Preferential crystallization of metasomatic cpx along (010) olivine grain boundaries points to an influence of the preexisting deformation fabrics on melt transport, with higher permeability along the foliation. Similarity between orthopyroxene (opx) and cpx CPO suggests that cpx orientations may be inherited from those of opx during melt-rock reaction. As observed in previous studies, reactive melt transport does not weaken olivine CPO and seismic anisotropy in the upper mantle, except in melt accumulation domains. In contrast, recovery and selective grain growth during static recrystallization may lead to development of [010]-fiber olivine CPO and, if foliations are
Numeric invariants from multidimensional persistence
Energy Technology Data Exchange (ETDEWEB)
Skryzalin, Jacek [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Carlsson, Gunnar [Stanford Univ., Stanford, CA (United States)
2017-05-19
In this paper, we analyze the space of multidimensional persistence modules from the perspectives of algebraic geometry. We first build a moduli space of a certain subclass of easily analyzed multidimensional persistence modules, which we construct specifically to capture much of the information which can be gained by using multidimensional persistence over one-dimensional persistence. We argue that the global sections of this space provide interesting numeric invariants when evaluated against our subclass of multidimensional persistence modules. Lastly, we extend these global sections to the space of all multidimensional persistence modules and discuss how the resulting numeric invariants might be used to study data.
Energy Technology Data Exchange (ETDEWEB)
Schaefer, W [Heidelberg Univ. (Germany). Inst. fuer Umweltphysik
1999-07-01
The book describes reactive transport of organic pollutants in ground water and its quantitative monitoring by means of numerical reaction transport models. A brief introduction dealing with the importance of and hazards to ground water and opportunities for making use of ground water models is followed by a more detailed chapter on organic pollutants in ground water. Here the focus is on organochlorine compounds and mineral oil products. Described are propagation mechanisms for these substances in the ground and, especially, their degradability in ground water. A separate chapter is dedicated to possibilities for cleaning up polluted ground water aquifers. The most important decontamination techniques are presented, with special emphasis on in-situ processes with hydraulic components. Moreover, this chapter discusses the self-cleaning capability of aquifers and the benefits of the application of models to ground water cleanup. In the fourth chapter the individual components of reaction transport models are indicated. Here it is, inter alia, differences in the formulation of reaction models as to their complexity, and coupling between suspended matter transport and reaction processes that are dealt with. This chapter ends with a comprehensive survey of literature regarding the application of suspended matter transport models to real ground water accidents. Chapter 5 consists of a description of the capability and principle of function of the reaction transport model TBC (transport biochemism/chemism). This model is used in the two described applications to the reactive transport of organic pollutants in ground water. (orig.) [German] Inhalt des vorliegenden Buches ist die Darstellung des reaktiven Transports organischer Schadstoffe im Grundwasser und dessen quantitative Erfassung mithilfe numerischer Reaktions-Transportmodelle. Auf eine kurze Einleitung zur Bedeutung und Gefaehrdung von Grundwasser und zu den Einsatzmoeglichkeiten von Grundwassermodellen folgt ein
Energy Technology Data Exchange (ETDEWEB)
Marshall, William BJ J [ORNL; Ade, Brian J [ORNL; Bowman, Stephen M [ORNL; Gauld, Ian C [ORNL; Ilas, Germina [ORNL; Mertyurek, Ugur [ORNL; Radulescu, Georgeta [ORNL
2015-01-01
Oak Ridge National Laboratory and the United States Nuclear Regulatory Commission have initiated a multiyear project to investigate application of burnup credit for boiling-water reactor (BWR) fuel in storage and transportation casks. This project includes two phases. The first phase (1) investigates applicability of peak reactivity methods currently used in spent fuel pools (SFPs) to storage and transportation systems and (2) evaluates validation of both reactivity (k_{eff}) calculations and burnup credit nuclide concentrations within these methods. The second phase will focus on extending burnup credit beyond peak reactivity. This paper documents the first phase, including an analysis of lattice design parameters and depletion effects, as well as both validation components. Initial efforts related to extended burnup credit are discussed in a companion paper. Peak reactivity analyses have been used in criticality analyses for licensing of BWR fuel in SFPs over the last 20 years. These analyses typically combine credit for the gadolinium burnable absorber present in the fuel with a modest amount of burnup credit. Gadolinium burnable absorbers are used in BWR assemblies to control core reactivity. The burnable absorber significantly reduces assembly reactivity at beginning of life, potentially leading to significant increases in assembly reactivity for burnups less than 15–20 GWd/MTU. The reactivity of each fuel lattice is dependent on gadolinium loading. The number of gadolinium-bearing fuel pins lowers initial lattice reactivity, but it has a small impact on the burnup and reactivity of the peak. The gadolinium concentration in each pin has a small impact on initial lattice reactivity but a significant effect on the reactivity of the peak and the burnup at which the peak occurs. The importance of the lattice parameters and depletion conditions are primarily determined by their impact on the gadolinium depletion. Criticality code validation for BWR burnup
Yan, Zhifeng; Yang, Xiaofan; Li, Siliang; Hilpert, Markus
2017-11-01
The lattice Boltzmann method (LBM) based on single-relaxation-time (SRT) or multiple-relaxation-time (MRT) collision operators is widely used in simulating flow and transport phenomena. The LBM based on two-relaxation-time (TRT) collision operators possesses strengths from the SRT and MRT LBMs, such as its simple implementation and good numerical stability, although tedious mathematical derivations and presentations of the TRT LBM hinder its application to a broad range of flow and transport phenomena. This paper describes the TRT LBM clearly and provides a pseudocode for easy implementation. Various transport phenomena were simulated using the TRT LBM to illustrate its applications in subsurface environments. These phenomena include advection-diffusion in uniform flow, Taylor dispersion in a pipe, solute transport in a packed column, reactive transport in uniform flow, and bacterial chemotaxis in porous media. The TRT LBM demonstrated good numerical performance in terms of accuracy and stability in predicting these transport phenomena. Therefore, the TRT LBM is a powerful tool to simulate various geophysical and biogeochemical processes in subsurface environments.
Pathology and immune reactivity: understanding multidimensionality in pulmonary tuberculosis.
Dorhoi, Anca; Kaufmann, Stefan H E
2016-03-01
Heightened morbidity and mortality in pulmonary tuberculosis (TB) are consequences of complex disease processes triggered by the causative agent, Mycobacterium tuberculosis (Mtb). Mtb modulates inflammation at distinct stages of its intracellular life. Recognition and phagocytosis, replication in phagosomes and cytosol escape induce tightly regulated release of cytokines [including interleukin (IL)-1, tumor necrosis factor (TNF), IL-10], chemokines, lipid mediators, and type I interferons (IFN-I). Mtb occupies various lung lesions at sites of pathology. Bacteria are barely detectable at foci of lipid pneumonia or in perivascular/bronchiolar cuffs. However, abundant organisms are evident in caseating granulomas and at the cavity wall. Such lesions follow polar trajectories towards fibrosis, encapsulation and mineralization or liquefaction, extensive matrix destruction, and tissue injury. The outcome is determined by immune factors acting in concert. Gradients of cytokines and chemokines (CCR2, CXCR2, CXCR3/CXCR5 agonists; TNF/IL-10, IL-1/IFN-I), expression of activation/death markers on immune cells (TNF receptor 1, PD-1, IL-27 receptor) or abundance of enzymes [arginase-1, matrix metalloprotease (MMP)-1, MMP-8, MMP-9] drive genesis and progression of lesions. Distinct lesions coexist such that inflammation in TB encompasses a spectrum of tissue changes. A better understanding of the multidimensionality of immunopathology in TB will inform novel therapies against this pulmonary disease.
Mineralogy controls on reactive transport of Marcellus Shale waters.
Cai, Zhang; Wen, Hang; Komarneni, Sridhar; Li, Li
2018-07-15
Produced or flowback waters from Marcellus Shale gas extraction (MSWs) typically are highly saline and contain chemicals including trace metals, which pose significant concerns on water quality. The natural attenuation of MSW chemicals in groundwater is poorly understood due to the complex interactions between aquifer minerals and MSWs, limiting our capabilities to monitor and predict. Here we combine flow-through experiments and process-based reactive transport modeling to understand mechanisms and quantify the retention of MSW chemicals in a quartz (Qtz) column, a calcite-rich (Cal) column, and a clay-rich (Vrm, vermiculite) column. These columns were used to represent sand, carbonate, and clay-rich aquifers. Results show that the types and extent of water-rock interactions differ significantly across columns. Although it is generally known that clay-rich media retard chemicals and that quartz media minimize water-rock interactions, results here have revealed insights that differ from previous thoughts. We found that the reaction mechanisms are much more complex than merely sorption and mineral precipitation. In clay rich media, trace metals participate in both ion exchange and mineral precipitation. In fact, the majority of metals (~50-90%) is retained in the solid via mineral precipitation, which is surprising because we typically expect the dominance of sorption in clay-rich aquifers. In the Cal column, trace metals are retained not only through precipitation but also solid solution partitioning, leading to a total of 75-99% retention. Even in the Qtz column, trace metals are retained at unexpectedly high percentages (~20-70%) due to precipitation. The reactive transport model developed here quantitatively differentiates the relative importance of individual processes, and bridges a limited number of experiments to a wide range of natural conditions. This is particularly useful where relatively limited knowledge and data prevent the prediction of complex rock
International Nuclear Information System (INIS)
Akkus, B.; Anac, H.; Alsan, S.; Erk, S.
1991-01-01
Nowadays, various digital methods making use of microcomputers for neutron detector signals and determining the reactivity by numerical calculations are used in reactor control systems in place of classical reactivity meters. In this work, a calculation based on the ''The Time Dependent Transport Equation'' has been developed for determining the reactivity numerically. The reactivity values have been obtained utilizing a computer-based data acquisition and control system and compared with the analog reactivity meter values as well as the values calculated from the ''Inhour Equation''
International Nuclear Information System (INIS)
Ayora, C.; Taberner, C.; Samper, J.
1994-01-01
The replacement of dolomite with calcite (dedolomization) has been analyzed by means of two numerical models of reactive transport. The results of successive calculations under different scenarios have been compared with the observations made on the dedolomites developed on the Triassic strata from Prades (Tarragona, Spain). The model based on the local equilibrium assumption for water-rock interaction does not predict the development of the porosity associated to the replacement. The model based on kinetic laws for mineral dissolution and precipitation does predict the observed proportions of calcite, dolomite and porosity. The result of modeling under kinetic laws is sensitive to parameters such as the flow velocity, the chemical composition of the recharge water and the reactive surface of the minerals. The replacement and associated porosity is only formed for infiltration flows higher than 100 mm/year. The water has a neutral to slightly alkaline pH, far from equilibrium with carbonates and the atmosphere. The calcium concentrations must be one order of magnitude higher the average of surficial waters, probably due to sulfate dissolution. The reactive surface of dolomite has been estimated from a simple geometric model of fractures, whereas that of calcite has been inferred from calculations based on nucleation and crystal growth theory. The reactive surface of calcite appears to be several orders of magnitude lower than that of dolomite, in agreement with what is required for reactive transport calculations to generate porosity. The dedolomization and associated porosity takes place in the first meter of aquifers, whereas downstream the replacement vanishes and does not create porosity
Eckert, Dominik; Kürzinger, Petra; Bauer, Robert; Griebler, Christian; Cirpka, Olaf A.
2015-01-01
Biodegradation in contaminated aquifers has been shown to be most pronounced at the fringe of contaminant plumes, where mixing of contaminated water and ambient groundwater, containing dissolved electron acceptors, stimulates microbial activity. While physical mixing of contaminant and electron acceptor by transverse dispersion has been shown to be the major bottleneck for biodegradation in steady-state plumes, so far little is known on the effect of flow and transport dynamics (caused, e.g., by a seasonally fluctuating groundwater table) on biodegradation in these systems. Towards this end we performed experiments in quasi-two-dimensional flow-through microcosms on aerobic toluene degradation by Pseudomonas putida F1. Plume dynamics were simulated by vertical alteration of the toluene plume position and experimental results were analyzed by reactive-transport modeling. We found that, even after disappearance of the toluene plume for two weeks, the majority of microorganisms stayed attached to the sediment and regained their full biodegradation potential within two days after reappearance of the toluene plume. Our results underline that besides microbial growth, also maintenance and dormancy are important processes that affect biodegradation performance under transient environmental conditions and therefore deserve increased consideration in future reactive-transport modeling.
Energy Technology Data Exchange (ETDEWEB)
Ozdemir, Ozkan Emre, E-mail: ozdemir@psu.edu [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, PA 16802 (United States); Avramova, Maria N., E-mail: mna109@psu.edu [Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, PA 16802 (United States); Sato, Kenya, E-mail: kenya_sato@mhi.co.jp [Mitsubishi Heavy Industries (MHI), Kobe (Japan)
2014-10-15
Highlights: ► Implementation of multidimensional boron transport model in a subchannel approach. ► Studies on cross flow mechanism, heat transfer and lateral pressure drop effects. ► Verification of the implemented model via code-to-code comparison with CFD code. - Abstract: The risk of reflux condensation especially during a Small Break Loss Of Coolant Accident (SB-LOCA) and the complications of tracking the boron concentration experimentally inside the primary coolant system have stimulated and subsequently have been a focus of many computational studies on boron tracking simulations in nuclear reactors. This paper presents the development and implementation of a multidimensional boron transport model with Modified Godunov Scheme within a thermal-hydraulic code based on a subchannel approach. The cross flow mechanism in multiple-subchannel rod bundle geometry as well as the heat transfer and lateral pressure drop effects are considered in the performed studies on simulations of deboration and boration cases. The Pennsylvania State University (PSU) version of the COBRA-TF (CTF) code was chosen for the implementation of three different boron tracking models: First Order Accurate Upwind Difference Scheme, Second Order Accurate Godunov Scheme, and Modified Godunov Scheme. Based on the performed nodalization sensitivity studies, the Modified Godunov Scheme approach with a physical diffusion term was determined to provide the best solution in terms of precision and accuracy. As a part of the verification and validation activities, a code-to-code comparison was carried out with the STAR-CD computational fluid dynamics (CFD) code and presented here. The objective of this study was two-fold: (1) to verify the accuracy of the newly developed CTF boron tracking model against CFD calculations; and (2) to investigate its numerical advantages as compared to other thermal-hydraulics codes.
Reactive transport modeling in variably saturated porous media with OGS-IPhreeqc
He, W.; Beyer, C.; Fleckenstein, J. H.; Jang, E.; Kalbacher, T.; Shao, H.; Wang, W.; Kolditz, O.
2014-12-01
Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over
Reactive transport modeling of interaction processes between clay stone and cement
International Nuclear Information System (INIS)
Windt, L. de; van der Lee, J.; Pellegrini, D.
2001-01-01
The disposal of radioactive wastes in clayey formations may require the use of large amounts of concrete and cement. The chemical interactions between these industrial materials and the host rock are modeled with the reactive transport code HYTEC for time scales and a geometry representative of disposal projects. The pH evolution, a key parameter in element mobility, is studied more specifically. It depends on several interdependent processes: i) diffusion of highly alkaline cement pore solution, ii) strong buffering related to important mineral transformations both in the cement and in the clay, and iii) cation exchange processes, beyond the zone of intense mineral transformations. In addition, precipitation of secondary minerals may lead to a partial or complete clogging of the pore space, almost stopping the propagation of the high pH plume. In a second step, preliminary results on the migration of strontium and uranium in these strongly coupled systems are presented as an example of transport parameter derivation. (authors)
International Nuclear Information System (INIS)
Haran, O.; Shvarts, D.; Thieberger, R.
1998-01-01
Classical transport of neutral particles in a binary, scattering, stochastic media is discussed. It is assumed that the cross-sections of the constituent materials and their volume fractions are known. The inner structure of the media is stochastic, but there exist a statistical knowledge about the lump sizes, shapes and arrangement. The transmission through the composite media depends on the specific heterogeneous realization of the media. The current research focuses on the averaged transmission through an ensemble of realizations, frm which an effective cross-section for the media can be derived. The problem of one dimensional transport in stochastic media has been studied extensively [1]. In the one dimensional description of the problem, particles are transported along a line populated with alternating material segments of random lengths. The current work discusses transport in two-dimensional stochastic media. The phenomenon that is unique to the multi-dimensional description of the problem is obstacle bypassing. Obstacle bypassing tends to reduce the opacity of the media, thereby reducing its effective cross-section. The importance of this phenomenon depends on the manner in which the obstacles are arranged in the media. Results of transport simulations in multi-dimensional stochastic media are presented. Effective cross-sections derived from the simulations are compared against those obtained for the one-dimensional problem, and against those obtained from effective multi-dimensional models, which are partially based on a Markovian assumption
Dai, Z.; Wolfsberg, A. V.; Zhu, L.; Reimus, P. W.
2017-12-01
Colloids have the potential to enhance mobility of strongly sorbing radionuclide contaminants in fractured rocks at underground nuclear test sites. This study presents an experimental and numerical investigation of colloid-facilitated plutonium reactive transport in fractured porous media for identifying plutonium sorption/filtration processes. The transport parameters for dispersion, diffusion, sorption, and filtration are estimated with inverse modeling for minimizing the least squares objective function of multicomponent concentration data from multiple transport experiments with the Shuffled Complex Evolution Metropolis (SCEM). Capitalizing on an unplanned experimental artifact that led to colloid formation and migration, we adopt a stepwise strategy to first interpret the data from each experiment separately and then to incorporate multiple experiments simultaneously to identify a suite of plutonium-colloid transport processes. Nonequilibrium or kinetic attachment and detachment of plutonium-colloid in fractures was clearly demonstrated and captured in the inverted modeling parameters along with estimates of the source plutonium fraction that formed plutonium-colloids. The results from this study provide valuable insights for understanding the transport mechanisms and environmental impacts of plutonium in fractured formations and groundwater aquifers.
Directory of Open Access Journals (Sweden)
J. Rinne
2012-06-01
Full Text Available In the analyses of VOC fluxes measured above plant canopies, one usually assumes the flux above canopy to equal the exchange at the surface. Thus one assumes the chemical degradation to be much slower than the turbulent transport. We used a stochastic Lagrangian transport model in which the chemical degradation was described as first order decay in order to study the effect of the chemical degradation on above canopy fluxes of chemically reactive species. With the model we explored the sensitivity of the ratio of the above canopy flux to the surface emission on several parameters such as chemical lifetime of the compound, friction velocity, stability, and canopy density. Our results show that friction velocity and chemical lifetime affected the loss during transport the most. The canopy density had a significant effect if the chemically reactive compound was emitted from the forest floor. We used the results of the simulations together with oxidant data measured during HUMPPA-COPEC-2010 campaign at a Scots pine site to estimate the effect of the chemistry on fluxes of three typical biogenic VOCs, isoprene, α-pinene, and β-caryophyllene. Of these, the chemical degradation had a major effect on the fluxes of the most reactive species β-caryophyllene, while the fluxes of α-pinene were affected during nighttime. For these two compounds representing the mono- and sesquiterpenes groups, the effect of chemical degradation had also a significant diurnal cycle with the highest chemical loss at night. The different day and night time loss terms need to be accounted for, when measured fluxes of reactive compounds are used to reveal relations between primary emission and environmental parameters.
2016-06-01
2013 4. TITLE AND SUBTITLE Transport and Reactivity of Decontaminants to Provide Hazard Mitigation of Chemical Warfare Agents from Materials 5a...directions for future decontamination formulation approaches. 15. SUBJECT TERMS GD HD Decontamination Hazard mitigation VX Chemical warfare agent... DECONTAMINANTS TO PROVIDE HAZARD MITIGATION OF CHEMICAL WARFARE AGENTS FROM MATERIALS 1. INTRODUCTION Decontamination of materials is the
Aksenov, A. G.; Chechetkin, V. M.
2018-04-01
Most of the energy released in the gravitational collapse of the cores of massive stars is carried away by neutrinos. Neutrinos play a pivotal role in explaining core-collape supernovae. Currently, mathematical models of the gravitational collapse are based on multi-dimensional gas dynamics and thermonuclear reactions, while neutrino transport is considered in a simplified way. Multidimensional gas dynamics is used with neutrino transport in the flux-limited diffusion approximation to study the role of multi-dimensional effects. The possibility of large-scale convection is discussed, which is interesting both for explaining SN II and for setting up observations to register possible high-energy (≳10MeV) neutrinos from the supernova. A new multi-dimensional, multi-temperature gas dynamics method with neutrino transport is presented.
Kim, Seunghee
2015-08-19
Water acidification follows CO2 injection and leads to reactive fluid transport through pores and rock fractures, with potential implications to reservoirs and wells in CO2 geologic storage and enhanced oil recovery. Kinetic rate laws for dissolution reactions in calcite and anorthite are combined with Navier-Stokes law and advection-diffusion transport to perform geometry-coupled numerical simulations in order to study the evolution of chemical reactions, species concentration and fracture morphology. Results are summarized as a function of two dimensionless parameters: the Damköhler number Da which is the ratio between advection and reaction times, and the transverse Peclet number Pe defined as the ratio between the time for diffusion across the fracture and the time for advection along the fracture. Reactant species are readily consumed near the inlet in a carbonate reservoir when the flow velocity is low (low transverse Peclet number and Da>10-1). At high flow velocities, diffusion fails to homogenize the concentration field across the fracture (high transverse Peclet number Pe>10-1). When the reaction rate is low as in anorthite reservoirs (Da<10-1) reactant species are more readily transported towards the outlet. At a given Peclet number, a lower Damköhler number causes the flow channel to experience a more uniform aperture enlargement along the length of the fracture. When the length-to-aperture ratio is sufficiently large, say l/d>30, the system response resembles the solution for 1-D reactive fluid transport. A decreased length-to-aperture ratio slows the diffusive transport of reactant species to the mineral fracture surface, and analyses of fracture networks must take into consideration both the length and slenderness of individual fractures in addition to Pe and Da numbers.
Kim, Seunghee; Santamarina, Carlos
2015-01-01
Water acidification follows CO2 injection and leads to reactive fluid transport through pores and rock fractures, with potential implications to reservoirs and wells in CO2 geologic storage and enhanced oil recovery. Kinetic rate laws for dissolution reactions in calcite and anorthite are combined with Navier-Stokes law and advection-diffusion transport to perform geometry-coupled numerical simulations in order to study the evolution of chemical reactions, species concentration and fracture morphology. Results are summarized as a function of two dimensionless parameters: the Damköhler number Da which is the ratio between advection and reaction times, and the transverse Peclet number Pe defined as the ratio between the time for diffusion across the fracture and the time for advection along the fracture. Reactant species are readily consumed near the inlet in a carbonate reservoir when the flow velocity is low (low transverse Peclet number and Da>10-1). At high flow velocities, diffusion fails to homogenize the concentration field across the fracture (high transverse Peclet number Pe>10-1). When the reaction rate is low as in anorthite reservoirs (Da<10-1) reactant species are more readily transported towards the outlet. At a given Peclet number, a lower Damköhler number causes the flow channel to experience a more uniform aperture enlargement along the length of the fracture. When the length-to-aperture ratio is sufficiently large, say l/d>30, the system response resembles the solution for 1-D reactive fluid transport. A decreased length-to-aperture ratio slows the diffusive transport of reactant species to the mineral fracture surface, and analyses of fracture networks must take into consideration both the length and slenderness of individual fractures in addition to Pe and Da numbers.
De Lucia, Marco; Kempka, Thomas; Jatnieks, Janis; Kühn, Michael
2017-04-01
Reactive transport simulations - where geochemical reactions are coupled with hydrodynamic transport of reactants - are extremely time consuming and suffer from significant numerical issues. Given the high uncertainties inherently associated with the geochemical models, which also constitute the major computational bottleneck, such requirements may seem inappropriate and probably constitute the main limitation for their wide application. A promising way to ease and speed-up such coupled simulations is achievable employing statistical surrogates instead of "full-physics" geochemical models [1]. Data-driven surrogates are reduced models obtained on a set of pre-calculated "full physics" simulations, capturing their principal features while being extremely fast to compute. Model reduction of course comes at price of a precision loss; however, this appears justified in presence of large uncertainties regarding the parametrization of geochemical processes. This contribution illustrates the integration of surrogates into the flexible simulation framework currently being developed by the authors' research group [2]. The high level language of choice for obtaining and dealing with surrogate models is R, which profits from state-of-the-art methods for statistical analysis of large simulations ensembles. A stand-alone advective mass transport module was furthermore developed in order to add such capability to any multiphase finite volume hydrodynamic simulator within the simulation framework. We present 2D and 3D case studies benchmarking the performance of surrogates and "full physics" chemistry in scenarios pertaining the assessment of geological subsurface utilization. [1] Jatnieks, J., De Lucia, M., Dransch, D., Sips, M.: "Data-driven surrogate model approach for improving the performance of reactive transport simulations.", Energy Procedia 97, 2016, p. 447-453. [2] Kempka, T., Nakaten, B., De Lucia, M., Nakaten, N., Otto, C., Pohl, M., Chabab [Tillner], E., Kühn, M
Eckert, Dominik; Kürzinger, Petra; Bauer, Robert; Griebler, Christian; Cirpka, Olaf A
2015-01-01
Biodegradation in contaminated aquifers has been shown to be most pronounced at the fringe of contaminant plumes, where mixing of contaminated water and ambient groundwater, containing dissolved electron acceptors, stimulates microbial activity. While physical mixing of contaminant and electron acceptor by transverse dispersion has been shown to be the major bottleneck for biodegradation in steady-state plumes, so far little is known on the effect of flow and transport dynamics (caused, e.g., by a seasonally fluctuating groundwater table) on biodegradation in these systems. Towards this end we performed experiments in quasi-two-dimensional flow-through microcosms on aerobic toluene degradation by Pseudomonas putida F1. Plume dynamics were simulated by vertical alteration of the toluene plume position and experimental results were analyzed by reactive-transport modeling. We found that, even after disappearance of the toluene plume for two weeks, the majority of microorganisms stayed attached to the sediment and regained their full biodegradation potential within two days after reappearance of the toluene plume. Our results underline that besides microbial growth, also maintenance and dormancy are important processes that affect biodegradation performance under transient environmental conditions and therefore deserve increased consideration in future reactive-transport modeling. Copyright © 2014 Elsevier B.V. All rights reserved.
On simplified application of multidimensional Savitzky-Golay filters and differentiators
Shekhar, Chandra
2016-02-01
I propose a simplified approach for multidimensional Savitzky-Golay filtering, to enable its fast and easy implementation in scientific and engineering applications. The proposed method, which is derived from a generalized framework laid out by Thornley (D. J. Thornley, "Novel anisotropic multidimensional convolution filters for derivative estimation and reconstruction" in Proceedings of International Conference on Signal Processing and Communications, November 2007), first transforms any given multidimensional problem into a unique one, by transforming coordinates of the sampled data nodes to unity-spaced, uniform data nodes, and then performs filtering and calculates partial derivatives on the unity-spaced nodes. It is followed by transporting the calculated derivatives back onto the original data nodes by using the chain rule of differentiation. The burden to performing the most cumbersome task, which is to carry out the filtering and to obtain derivatives on the unity-spaced nodes, is almost eliminated by providing convolution coefficients for a number of convolution kernel sizes and polynomial orders, up to four spatial dimensions. With the availability of the convolution coefficients, the task of filtering at a data node reduces merely to multiplication of two known matrices. Simplified strategies to adequately address near-boundary data nodes and to calculate partial derivatives there are also proposed. Finally, the proposed methodologies are applied to a three-dimensional experimentally obtained data set, which shows that multidimensional Savitzky-Golay filters and differentiators perform well in both the internal and the near-boundary regions of the domain.
Energy Technology Data Exchange (ETDEWEB)
Windt, Laurent de [Ecole des Mines de Paris, CG-Hydrodynamics and Reaction Group, 35 R. St-Honore, 77300 Fontainebleau (France)]. E-mail: laurent.dewindt@ensmp.fr; Badreddine, Rabia [INERIS, Direction des Risques Chroniques, Unite Dechets et Sites Pollues, Parc Technologique Alata BP 2, 60550 Verneuil-en-Halatte (France); Lagneau, Vincent [Ecole des Mines de Paris, CG-Hydrodynamics and Reaction Group, 35 R. St-Honore, 77300 Fontainebleau (France)
2007-01-31
Environmental impact assessment of hazardous waste disposal relies, among others, on standardized leaching tests characterized by a strong coupling between diffusion and chemical processes. In that respect, this study shows that reactive transport modelling is a useful tool to extrapolate laboratory results to site conditions characterized by lower solution/solid (L/S) ratios, site specific geometry, infiltration, etc. A cement solidified/stabilized (S/S) waste containing lead is investigated as a typical example. The reactive transport model developed in a previous study to simulate the initial state of the waste as well as laboratory batch and dynamic tests is first summarized. Using the same numerical code (HYTEC), this model is then integrated to a simplified waste disposal scenario assuming a defective cover and rain water infiltration. The coupled evolution of the S/S waste chemistry and the pollutant plume migration are modelled assessing the importance of the cracking state of the monolithic waste. The studied configurations correspond to an undamaged and fully sealed system, a few main fractures between undamaged monoliths and, finally, a dense crack-network in the monoliths. The model considers the potential effects of cracking, first the increase of rain water and carbon dioxide infiltration and, secondly, the increase of L/S ratio and reactive surfaces, using either explicit fracture representation or dual porosity approaches.
Multidimensional Models of Information Need
Yun-jie (Calvin) Xu; Kai Huang (Joseph) Tan
2009-01-01
User studies in information science have recognised relevance as a multidimensional construct. An implication of multidimensional relevance is that a user's information need should be modeled by multiple data structures to represent different relevance dimensions. While the extant literature has attempted to model multiple dimensions of a user's information need, the fundamental assumption that a multidimensional model is better than a uni-dimensional model has not been addressed. This study ...
International Nuclear Information System (INIS)
George J. Moridis
2001-01-01
In this paper, semianalytical solutions are developed for the problem of transport of radioactive or reactive solute tracers through a layered system of heterogeneous fractured media with misaligned fractures. The tracer transport equations in the non-flowing matrix account for (a) diffusion, (b) surface diffusion, (c) mass transfer between the mobile and immobile water fractions, (d) linear kinetic or equilibrium physical, chemical, or combined solute sorption or colloid filtration, and (e) radioactive decay or first-order chemical reactions. The tracer-transport equations in the fractures account for the same processes, in addition to advection and hydrodynamic dispersion. Any number of radioactive decay daughter products (or products of a linear, first-order reaction chain) can be tracked. The solutions, which are analytical in the Laplace space, are numerically inverted to provide the solution in time and can accommodate any number of fractured and/or porous layers. The solutions are verified using analytical solutions for limiting cases of solute and colloid transport through fractured and porous media. The effect of important parameters on the transport of 3 H, 237 Np and 239 Pu (and its daughters) is investigated in several test problems involving layered geological systems of varying complexity
Towards a realistic approach to validation of reactive transport models for performance assessment
International Nuclear Information System (INIS)
Siegel, M.D.
1993-01-01
Performance assessment calculations are based on geochemical models that assume that interactions among radionuclides, rocks and groundwaters under natural conditions, can be estimated or bound by data obtained from laboratory-scale studies. The data include radionuclide distribution coefficients, measured in saturated batch systems of powdered rocks, and retardation factors measured in short-term column experiments. Traditional approaches to model validation cannot be applied in a straightforward manner to the simple reactive transport models that use these data. An approach to model validation in support of performance assessment is described in this paper. It is based on a recognition of different levels of model validity and is compatible with the requirements of current regulations for high-level waste disposal. Activities that are being carried out in support of this approach include (1) laboratory and numerical experiments to test the validity of important assumptions inherent in current performance assessment methodologies,(2) integrated transport experiments, and (3) development of a robust coupled reaction/transport code for sensitivity analyses using massively parallel computers
Modeling reactive transport with particle tracking and kernel estimators
Rahbaralam, Maryam; Fernandez-Garcia, Daniel; Sanchez-Vila, Xavier
2015-04-01
Groundwater reactive transport models are useful to assess and quantify the fate and transport of contaminants in subsurface media and are an essential tool for the analysis of coupled physical, chemical, and biological processes in Earth Systems. Particle Tracking Method (PTM) provides a computationally efficient and adaptable approach to solve the solute transport partial differential equation. On a molecular level, chemical reactions are the result of collisions, combinations, and/or decay of different species. For a well-mixed system, the chem- ical reactions are controlled by the classical thermodynamic rate coefficient. Each of these actions occurs with some probability that is a function of solute concentrations. PTM is based on considering that each particle actually represents a group of molecules. To properly simulate this system, an infinite number of particles is required, which is computationally unfeasible. On the other hand, a finite number of particles lead to a poor-mixed system which is limited by diffusion. Recent works have used this effect to actually model incomplete mix- ing in naturally occurring porous media. In this work, we demonstrate that this effect in most cases should be attributed to a defficient estimation of the concentrations and not to the occurrence of true incomplete mixing processes in porous media. To illustrate this, we show that a Kernel Density Estimation (KDE) of the concentrations can approach the well-mixed solution with a limited number of particles. KDEs provide weighting functions of each particle mass that expands its region of influence, hence providing a wider region for chemical reactions with time. Simulation results show that KDEs are powerful tools to improve state-of-the-art simulations of chemical reactions and indicates that incomplete mixing in diluted systems should be modeled based on alternative conceptual models and not on a limited number of particles.
Modelling of reactive fluid transport in deformable porous rocks
Yarushina, V. M.; Podladchikov, Y. Y.
2009-04-01
One outstanding challenge in geology today is the formulation of an understanding of the interaction between rocks and fluids. Advances in such knowledge are important for a broad range of geologic settings including partial melting and subsequent migration and emplacement of a melt into upper levels of the crust, or fluid flow during regional metamorphism and metasomatism. Rock-fluid interaction involves heat and mass transfer, deformation, hydrodynamic flow, and chemical reactions, thereby necessitating its consideration as a complex process coupling several simultaneous mechanisms. Deformation, chemical reactions, and fluid flow are coupled processes. Each affects the others. Special effort is required for accurate modelling of the porosity field through time. Mechanical compaction of porous rocks is usually treated under isothermal or isoentropic simplifying assumptions. However, joint consideration of both mechanical compaction and reactive porosity alteration requires somewhat greater than usual care about thermodynamic consistency. Here we consider the modelling of multi-component, multi-phase systems, which is fundamental to the study of fluid-rock interaction. Based on the conservation laws for mass, momentum, and energy in the form adopted in the theory of mixtures, we derive a thermodynamically admissible closed system of equations describing the coupling of heat and mass transfer, chemical reactions, and fluid flow in a deformable solid matrix. Geological environments where reactive transport is important are located at different depths and accordingly have different rheologies. In the near surface, elastic or elastoplastic properties would dominate, whereas viscoplasticity would have a profound effect deeper in the lithosphere. Poorly understood rheologies of heterogeneous porous rocks are derived from well understood processes (i.e., elasticity, viscosity, plastic flow, fracturing, and their combinations) on the microscale by considering a
Janic, M.
2016-01-01
Multidimensional examination of performances of the future advanced ETT Evacuated Tube Transport) system operated by TRM (TransRapidMaglev); assessment of the ETT TRM system contribution to sustainability of the future transport sector through its completion with APT (Air Passenger Transport) system
Joly, Laurent; Tocci, Gabriele; Merabia, Samy; Michaelides, Angelos
2016-04-07
Defects are inevitably present in nanofluidic systems, yet the role they play in nanofluidic transport remains poorly understood. Here, we report ab initio molecular dynamics (AIMD) simulations of the friction of liquid water on defective graphene and boron nitride sheets. We show that water dissociates at certain defects and that these "reactive" defects lead to much larger friction than the "nonreactive" defects at which water molecules remain intact. Furthermore, we find that friction is extremely sensitive to the chemical structure of reactive defects and to the number of hydrogen bonds they can partake in with the liquid. Finally, we discuss how the insight obtained from AIMD can be used to quantify the influence of defects on friction in nanofluidic devices for water treatment and sustainable energy harvesting. Overall, we provide new insight into the role of interfacial chemistry on nanofluidic transport in real, defective systems.
Wolterbeek, Timotheus K.T.; Peach, Colin J.; Raoof, Amir; Spiers, Christopher J.
2016-01-01
Debonding at casing-cement interfaces poses a leakage pathway risk that may compromise well integrity in CO2 storage systems. The present study addresses the effects of long-range, CO2-induced, reactive transport on the conductance of such interfacial pathways. This is done by means of reactive
Roubinet, D.; Russian, A.; Dentz, M.; Gouze, P.
2017-12-01
Characterizing and modeling hydrodynamic reactive transport in fractured rock are critical challenges for various research fields and applications including environmental remediation, geological storage, and energy production. To this end, we consider a recently developed time domain random walk (TDRW) approach, which is adapted to reproduce anomalous transport behaviors and capture heterogeneous structural and physical properties. This method is also very well suited to optimize numerical simulations by memory-shared massive parallelization and provide numerical results at various scales. So far, the TDRW approach has been applied for modeling advective-diffusive transport with mass transfer between mobile and immobile regions and simple (theoretical) reactions in heterogeneous porous media represented as single continuum domains. We extend this approach to dual-continuum representations considering a highly permeable fracture network embedded into a poorly permeable rock matrix with heterogeneous geochemical reactions occurring in both geological structures. The resulting numerical model enables us to extend the range of the modeled heterogeneity scales with an accurate representation of solute transport processes and no assumption on the Fickianity of these processes. The proposed model is compared to existing particle-based methods that are usually used to model reactive transport in fractured rocks assuming a homogeneous surrounding matrix, and is used to evaluate the impact of the matrix heterogeneity on the apparent reaction rates for different 2D and 3D simple-to-complex fracture network configurations.
Applied multidimensional systems theory
Bose, Nirmal K
2017-01-01
Revised and updated, this concise new edition of the pioneering book on multidimensional signal processing is ideal for a new generation of students. Multidimensional systems or m-D systems are the necessary mathematical background for modern digital image processing with applications in biomedicine, X-ray technology and satellite communications. Serving as a firm basis for graduate engineering students and researchers seeking applications in mathematical theories, this edition eschews detailed mathematical theory not useful to students. Presentation of the theory has been revised to make it more readable for students, and introduce some new topics that are emerging as multidimensional DSP topics in the interdisciplinary fields of image processing. New topics include Groebner bases, wavelets, and filter banks.
Effects of Reactive Oxygen Species on Tubular Transport along the Nephron.
Gonzalez-Vicente, Agustin; Garvin, Jeffrey L
2017-03-23
Reactive oxygen species (ROS) are oxygen-containing molecules naturally occurring in both inorganic and biological chemical systems. Due to their high reactivity and potentially damaging effects to biomolecules, cells express a battery of enzymes to rapidly metabolize them to innocuous intermediaries. Initially, ROS were considered by biologists as dangerous byproducts of respiration capable of causing oxidative stress, a condition in which overproduction of ROS leads to a reduction in protective molecules and enzymes and consequent damage to lipids, proteins, and DNA. In fact, ROS are used by immune systems to kill virus and bacteria, causing inflammation and local tissue damage. Today, we know that the functions of ROS are not so limited, and that they also act as signaling molecules mediating processes as diverse as gene expression, mechanosensation, and epithelial transport. In the kidney, ROS such as nitric oxide (NO), superoxide (O₂ - ), and their derivative molecules hydrogen peroxide (H₂O₂) and peroxynitrite (ONO₂ - ) regulate solute and water reabsorption, which is vital to maintain electrolyte homeostasis and extracellular fluid volume. This article reviews the effects of NO, O₂ - , ONO₂ - , and H₂O₂ on water and electrolyte reabsorption in proximal tubules, thick ascending limbs, and collecting ducts, and the effects of NO and O₂ - in the macula densa on tubuloglomerular feedback.
Directory of Open Access Journals (Sweden)
Mihaela MUNTEAN
2006-01-01
Full Text Available Using SQL you can manipulate multidimensional data and extract that data into a relational table. There are many PL/SQL packages that you can use directly in SQL*Plus or indirectly in Analytic Workspace Manager and OLAP Worksheet. In this article I discussed about some methods that you can use for manipulating and extracting multidimensional data.
Multidimensional Databases and Data Warehousing
Jensen, Christian
2010-01-01
The present book's subject is multidimensional data models and data modeling concepts as they are applied in real data warehouses. The book aims to present the most important concepts within this subject in a precise and understandable manner. The book's coverage of fundamental concepts includes data cubes and their elements, such as dimensions, facts, and measures and their representation in a relational setting; it includes architecture-related concepts; and it includes the querying of multidimensional databases.The book also covers advanced multidimensional concepts that are considered to b
International Nuclear Information System (INIS)
Pfingsten, W.
1996-01-01
Safety assessments for radioactive waste repositories require a detailed knowledge of physical, chemical, hydrological, and geological processes for long time spans. In the past, individual models for hydraulics, transport, or geochemical processes were developed more or less separately to great sophistication for the individual processes. Such processes are especially important in the near field of a waste repository. Attempts have been made to couple at least two individual processes to get a more adequate description of geochemical systems. These models are called coupled codes; they couple predominantly a multicomponent transport model with a chemical reaction model. Here reactive transport is modeled by the sequentially coupled code MCOTAC that couples one-dimensional advective, dispersive, and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium. Transport, described by a random walk of multispecies particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term. The modular-structured code was applied to incongruent dissolution of hydrated silicate gels, to movement of multiple solid front systems, and to an artificial, numerically difficult heterogeneous redox problem. These applications show promising features with respect to applicability to relevant problems and possibilities of extensions
The necessity-concerns framework: a multidimensional theory benefits from multidimensional analysis.
Phillips, L Alison; Diefenbach, Michael A; Kronish, Ian M; Negron, Rennie M; Horowitz, Carol R
2014-08-01
Patients' medication-related concerns and necessity-beliefs predict adherence. Evaluation of the potentially complex interplay of these two dimensions has been limited because of methods that reduce them to a single dimension (difference scores). We use polynomial regression to assess the multidimensional effect of stroke-event survivors' medication-related concerns and necessity beliefs on their adherence to stroke-prevention medication. Survivors (n = 600) rated their concerns, necessity beliefs, and adherence to medication. Confirmatory and exploratory polynomial regression determined the best-fitting multidimensional model. As posited by the necessity-concerns framework (NCF), the greatest and lowest adherence was reported by those necessity weak concerns and strong concerns/weak Necessity-Beliefs, respectively. However, as could not be assessed using a difference-score model, patients with ambivalent beliefs were less adherent than those exhibiting indifference. Polynomial regression allows for assessment of the multidimensional nature of the NCF. Clinicians/Researchers should be aware that concerns and necessity dimensions are not polar opposites.
Chen, Kewei; Zhan, Hongbin
2018-06-01
The reactive solute transport in a single fracture bounded by upper and lower matrixes is a classical problem that captures the dominant factors affecting transport behavior beyond pore scale. A parallel fracture-matrix system which considers the interaction among multiple paralleled fractures is an extension to a single fracture-matrix system. The existing analytical or semi-analytical solution for solute transport in a parallel fracture-matrix simplifies the problem to various degrees, such as neglecting the transverse dispersion in the fracture and/or the longitudinal diffusion in the matrix. The difficulty of solving the full two-dimensional (2-D) problem lies in the calculation of the mass exchange between the fracture and matrix. In this study, we propose an innovative Green's function approach to address the 2-D reactive solute transport in a parallel fracture-matrix system. The flux at the interface is calculated numerically. It is found that the transverse dispersion in the fracture can be safely neglected due to the small scale of fracture aperture. However, neglecting the longitudinal matrix diffusion would overestimate the concentration profile near the solute entrance face and underestimate the concentration profile at the far side. The error caused by neglecting the longitudinal matrix diffusion decreases with increasing Peclet number. The longitudinal matrix diffusion does not have obvious influence on the concentration profile in long-term. The developed model is applied to a non-aqueous-phase-liquid (DNAPL) contamination field case in New Haven Arkose of Connecticut in USA to estimate the Trichloroethylene (TCE) behavior over 40 years. The ratio of TCE mass stored in the matrix and the injected TCE mass increases above 90% in less than 10 years.
International Nuclear Information System (INIS)
Molinero-Huguet, Jorge; Samper-Calvete, F. Javier; Zhang, Guoxiang; Yang, Changbing
2004-01-01
Underground facilities are being operated by several countries around the world for performing research and demonstration of the safety of deep radioactive waste repositories. The ''sp'' Hard Rock Laboratory is one such facility launched and operated by the Swedish Nuclear Fuel and Waste Management Company where various in situ experiments have been performed in fractured granites. One such experiment is the redox zone experiment, which aimed at evaluating the effects of the construction of an access tunnel on the hydrochemical conditions of a fracture zone. Dilution of the initially saline groundwater by fresh recharge water is the dominant process controlling the hydrochemical evolution of most chemical species, except for bicarbonate and sulfate, which unexpectedly increase with time. We present a numerical model of water flow, reactive transport, and microbial processes for the redox zone experiment. This model provides a plausible quantitatively based explanation for the unexpected evolution of bicarbonate and sulfate, reproduces the breakthrough curves of other reactive species, and is consistent with previous hydrogeological and solute transport models
Javidi, Bahram; Andres, Pedro
2014-01-01
Provides a broad overview of advanced multidimensional imaging systems with contributions from leading researchers in the field Multi-dimensional Imaging takes the reader from the introductory concepts through to the latest applications of these techniques. Split into 3 parts covering 3D image capture, processing, visualization and display, using 1) a Multi-View Approach and 2.) a Holographic Approach, followed by a 3rd part addressing other 3D systems approaches, applications and signal processing for advanced 3D imaging. This book describes recent developments, as well as the prospects and
Valdes-Abellan, Javier; Jiménez-Martínez, Joaquín; Candela, Lucila; Jacques, Diederik; Kohfahl, Claus; Tamoh, Karim
2017-06-01
The use of non-conventional water (e.g., treated wastewater, desalinated water) for different purposes is increasing in many water scarce regions of the world. Its use for irrigation may have potential drawbacks, because of mineral dissolution/precipitation processes, such as changes in soil physical and hydraulic properties (e.g., porosity, permeability), modifying infiltration and aquifer recharge processes or blocking root growth. Prediction of soil and groundwater impacts is essential for achieving sustainable agricultural practices. A numerical model to solve unsaturated water flow and non-isothermal multicomponent reactive transport has been modified implementing the spatio-temporal evolution of soil physical and hydraulic properties. A long-term process simulation (30 years) of agricultural irrigation with desalinated water, based on a calibrated/validated 1D numerical model in a semi-arid region, is presented. Different scenarios conditioning reactive transport (i.e., rainwater irrigation, lack of gypsum in the soil profile, and lower partial pressure of CO2 (pCO2)) have also been considered. Results show that although boundary conditions and mineral soil composition highly influence the reactive processes, dissolution/precipitation of carbonate species is triggered mainly by pCO2, closely related to plant roots. Calcite dissolution occurs in the root zone, precipitation takes place under it and at the soil surface, which will lead a root growth blockage and a direct soil evaporation decrease, respectively. For the studied soil, a gypsum dissolution up to 40 cm depth is expected at long-term, with a general increase of porosity and hydraulic conductivity.
Spiteri, C.; Slomp, C.P.; Charette, M.A.; Tuncay, K.; Meile, C.
2008-01-01
A two-dimensional (2D) reactive transport model is used to investigate the controls on nutrient (NO3-, NH4+, PO4) dynamics in a coastal aquifer. The model couples density-dependent flow to a reaction network which includes oxic degradation of organic matter, denitrification, iron oxide reduction,
Reactive transport model and apparent Kd of Ni in the near field of a HLW repository in granite
Lu, Chuanhe; Samper, Javier; Luis Cormenzana, José; Ma, Hongyun; Montenegro, Luis; Ángel Cuñado, Miguel
2012-12-01
Current performance assessment models for radionuclide migration through the near field of high-level radioactive waste repositories often rely on the assumption of a constant Kd for sorption. The validity of such assumption is evaluated here with a reactive transport model for Ni2+ in the near field of a repository in granite. Model results show that Ni2+ sorbs mainly by surface complexation on weak sorption sites. The apparent Kd of Ni2+, Kda, depends on the concentration of dissolved Ni and pH and is constant only when the concentration of dissolved Ni is smaller than 10-6 mol/L. The results of the sensitivity runs show that Kda is sensitive to the water flux at the bentonite-granite interface, the effective diffusion of the bentonite and the concentration of weak sorption sites of the bentonite. The competition of other nuclides such as Cs+ on Ni2+ sorption is not important. Corrosion products, however, affect significantly the sorption of Ni2+ on the bentonite. The model with a constant Kd does not reproduce the release rates of Ni2+ from the bentonite into the granite. A model with a variable Kd which depends on the concentration of dissolved Ni2+ and pH may provide an acceptable surrogate of the multicomponent reactive transport model for the conditions of the repository considered in our model. Simulations using the Kd-approach were performed with GoldSim based on the interpolation in the pH and concentration table, while the reactive transport model simulations were performed with CORE2D which incorporates multisite surface complexation.
Directory of Open Access Journals (Sweden)
Marco Rotiroti
2018-01-01
Full Text Available The reductive dissolution of Fe-oxide driven by organic matter oxidation is the primary mechanism accepted for As mobilization in several alluvial aquifers. These processes are often mediated by microorganisms that require a minimum Gibbs energy available to conduct the reaction in order to sustain their life functions. Implementing this threshold energy in reactive transport modeling is rarely used in the existing literature. This work presents a 1D reactive transport modeling of As mobilization by the reductive dissolution of Fe-oxide and subsequent immobilization by co-precipitation in iron sulfides considering a threshold energy for the following terminal electron accepting processes: (a Fe-oxide reduction, (b sulfate reduction, and (c methanogenesis. The model is then extended by implementing a threshold energy on both reaction directions for the redox reaction pairs Fe(III reduction/Fe(II oxidation and methanogenesis/methane oxidation. The optimal threshold energy fitted in 4.50, 3.76, and 1.60 kJ/mol e− for sulfate reduction, Fe(III reduction/Fe(II oxidation, and methanogenesis/methane oxidation, respectively. The use of models implementing bidirectional threshold energy is needed when a redox reaction pair can be transported between domains with different redox potentials. This may often occur in 2D or 3D simulations.
Psychophysical parameters of a multidimensional pain scale in newborns
International Nuclear Information System (INIS)
De Oliveira, M V M; De Jesus, J A L; Tristao, R M
2012-01-01
The Premature Infant Pain Profile (PIPP) is a promising multidimensional tool for comparison and testing of new technologies in newborn pain assessment studies since it may adhere to basic psychophysical parameters of intensity, direction, reactivity, regulation and slope described in analyses of physiological pain indicators. The aim of this study was to evaluate whether these psychophysical parameters can be achieved using the PIPP in acute pain assessment. Thirty-six healthy term newborn infants were conveniently sampled whilst being videotaped before, during and after heel prick blood sampling. The images were blind-scored by three trained independent raters and scored against the PIPP. The PIPP and its facial action indicators met the parameters of intensity, reactivity and regulation (all p < 0.001). The heart rate variability did not meet any parameter (all p > 0.05). The oxygen saturation variability met only the intensity parameter (p < 0.05). The behavioural state indicator met all parameters and had the best correlation to the psychophysical parameters of all indicators of PIPP (all p < 0.001). We concluded that the overall PIPP meets the assumptions of these psychophysical parameters, being the behavioural state indicator which best fit the model. (paper)
Residence-time framework for modeling multicomponent reactive transport in stream hyporheic zones
Painter, S. L.; Coon, E. T.; Brooks, S. C.
2017-12-01
Process-based models for transport and transformation of nutrients and contaminants in streams require tractable representations of solute exchange between the stream channel and biogeochemically active hyporheic zones. Residence-time based formulations provide an alternative to detailed three-dimensional simulations and have had good success in representing hyporheic exchange of non-reacting solutes. We extend the residence-time formulation for hyporheic transport to accommodate general multicomponent reactive transport. To that end, the integro-differential form of previous residence time models is replaced by an equivalent formulation based on a one-dimensional advection dispersion equation along the channel coupled at each channel location to a one-dimensional transport model in Lagrangian travel-time form. With the channel discretized for numerical solution, the associated Lagrangian model becomes a subgrid model representing an ensemble of streamlines that are diverted into the hyporheic zone before returning to the channel. In contrast to the previous integro-differential forms of the residence-time based models, the hyporheic flowpaths have semi-explicit spatial representation (parameterized by travel time), thus allowing coupling to general biogeochemical models. The approach has been implemented as a stream-corridor subgrid model in the open-source integrated surface/subsurface modeling software ATS. We use bedform-driven flow coupled to a biogeochemical model with explicit microbial biomass dynamics as an example to show that the subgrid representation is able to represent redox zonation in sediments and resulting effects on metal biogeochemical dynamics in a tractable manner that can be scaled to reach scales.
Zuurbier, Koen G.; Hartog, Niels; Stuyfzand, Pieter J.
The use of multiple partially penetrating wells (MPPW) during aquifer storage and recovery (ASR) in brackish aquifers can significantly improve the recovery efficiency (RE) of unmixed injected water. The water quality changes by reactive transport processes in a field MPPW-ASR system and their
Discovering Multidimensional Structure in Relational Data
DEFF Research Database (Denmark)
Jensen, Mikael Rune; Holmgren, Thomas; Pedersen, Torben Bach
2004-01-01
On-Line Analytical Processing (OLAP) systems based on multidimensional databases are essential elements of decision support. However, most existing data is stored in ordinary relational OLTP databases, i.e., data has to be (re-) modeled as multidimensional cubes before the advantages of OLAP to...... algorithms for discovering multidimensional schemas from relational databases. The algorithms take a wide range of available metadata into account in the discovery process, including functional and inclusion dependencies, and key and cardinality information....... tools are available. In this paper we present an approach for the automatic construction of multidimensional OLAP database schemas from existing relational OLTP databases, enabling easy OLAP design and analysis for most existing data sources. This is achieved through a set of practical and effective...
The multi-dimensional roles of astrocytes in ALS.
Yamanaka, Koji; Komine, Okiru
2018-01-01
Despite significant progress in understanding the molecular and genetic aspects of amyotrophic lateral sclerosis (ALS), a fatal neurodegenerative disease characterized by the progressive loss of motor neurons, the precise and comprehensive pathomechanisms remain largely unknown. In addition to motor neuron involvement, recent studies using cellular and animal models of ALS indicate that there is a complex interplay between motor neurons and neighboring non-neuronal cells, such as astrocytes, in non-cell autonomous neurodegeneration. Astrocytes are key homeostatic cells that play numerous supportive roles in maintaining the brain environment. In neurodegenerative diseases such as ALS, astrocytes change their shape and molecular expression patterns and are referred to as reactive or activated astrocytes. Reactive astrocytes in ALS lose their beneficial functions and gain detrimental roles. In addition, interactions between motor neurons and astrocytes are impaired in ALS. In this review, we summarize growing evidence that astrocytes are critically involved in the survival and demise of motor neurons through several key molecules and cascades in astrocytes in both sporadic and inherited ALS. These observations strongly suggest that astrocytes have multi-dimensional roles in disease and are a viable therapeutic target for ALS. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.
The Necessity-Concerns-Framework: A Multidimensional Theory Benefits from Multidimensional Analysis
Phillips, L. Alison; Diefenbach, Michael; Kronish, Ian M.; Negron, Rennie M.; Horowitz, Carol R.
2014-01-01
Background Patients’ medication-related concerns and necessity-beliefs predict adherence. Evaluation of the potentially complex interplay of these two dimensions has been limited because of methods that reduce them to a single dimension (difference scores). Purpose We use polynomial regression to assess the multidimensional effect of stroke-event survivors’ medication-related concerns and necessity-beliefs on their adherence to stroke-prevention medication. Methods Survivors (n=600) rated their concerns, necessity-beliefs, and adherence to medication. Confirmatory and exploratory polynomial regression determined the best-fitting multidimensional model. Results As posited by the Necessity-Concerns Framework (NCF), the greatest and lowest adherence was reported by those with strong necessity-beliefs/weak concerns and strong concerns/weak necessity-beliefs, respectively. However, as could not be assessed using a difference-score model, patients with ambivalent beliefs were less adherent than those exhibiting indifference. Conclusions Polynomial regression allows for assessment of the multidimensional nature of the NCF. Clinicians/Researchers should be aware that concerns and necessity dimensions are not polar opposites. PMID:24500078
An Overview of Multi-Dimensional Models of the Sacramento–San Joaquin Delta
Directory of Open Access Journals (Sweden)
Michael L. MacWilliams
2016-12-01
Full Text Available doi: https://doi.org/10.15447/sfews.2016v14iss4art2Over the past 15 years, the development and application of multi-dimensional hydrodynamic models in San Francisco Bay and the Sacramento–San Joaquin Delta has transformed our ability to analyze and understand the underlying physics of the system. Initial applications of three-dimensional models focused primarily on salt intrusion, and provided a valuable resource for investigating how sea level rise and levee failures in the Delta could influence water quality in the Delta under future conditions. However, multi-dimensional models have also provided significant insights into some of the fundamental biological relationships that have shaped our thinking about the system by exploring the relationship among X2, flow, fish abundance, and the low salinity zone. Through the coupling of multi-dimensional models with wind wave and sediment transport models, it has been possible to move beyond salinity to understand how large-scale changes to the system are likely to affect sediment dynamics, and to assess the potential effects on species that rely on turbidity for habitat. Lastly, the coupling of multi-dimensional hydrodynamic models with particle tracking models has led to advances in our thinking about residence time, the retention of food organisms in the estuary, the effect of south Delta exports on larval entrainment, and the pathways and behaviors of salmonids that travel through the Delta. This paper provides an overview of these recent advances and how they have increased our understanding of the distribution and movement of fish and food organisms. The applications presented serve as a guide to the current state of the science of Delta modeling and provide examples of how we can use multi-dimensional models to predict how future Delta conditions will affect both fish and water supply.
Meyer, P. D.; Yabusaki, S.; Curtis, G. P.; Ye, M.; Fang, Y.
2011-12-01
A three-dimensional, variably-saturated flow and multicomponent biogeochemical reactive transport model of uranium bioremediation was used to generate synthetic data . The 3-D model was based on a field experiment at the U.S. Dept. of Energy Rifle Integrated Field Research Challenge site that used acetate biostimulation of indigenous metal reducing bacteria to catalyze the conversion of aqueous uranium in the +6 oxidation state to immobile solid-associated uranium in the +4 oxidation state. A key assumption in past modeling studies at this site was that a comprehensive reaction network could be developed largely through one-dimensional modeling. Sensitivity analyses and parameter estimation were completed for a 1-D reactive transport model abstracted from the 3-D model to test this assumption, to identify parameters with the greatest potential to contribute to model predictive uncertainty, and to evaluate model structure and data limitations. Results showed that sensitivities of key biogeochemical concentrations varied in space and time, that model nonlinearities and/or parameter interactions have a significant impact on calculated sensitivities, and that the complexity of the model's representation of processes affecting Fe(II) in the system may make it difficult to correctly attribute observed Fe(II) behavior to modeled processes. Non-uniformity of the 3-D simulated groundwater flux and averaging of the 3-D synthetic data for use as calibration targets in the 1-D modeling resulted in systematic errors in the 1-D model parameter estimates and outputs. This occurred despite using the same reaction network for 1-D modeling as used in the data-generating 3-D model. Predictive uncertainty of the 1-D model appeared to be significantly underestimated by linear parameter uncertainty estimates.
2013-01-01
blood brain barrier (BBB) to reactivate inhibited brain acetylcholinesterase (AChE). We selected glucose (Glc) transporters (GLUT) for this purpose as...Eur. J. Pharm. 332 (1997) 43–52. [4] N.J. Abbott , L. Ronnback, E. Hansson, Astrocyte-endothelial interactions at the blood –brain barrier, Nat. Rev...5a. CONTRACT NUMBER oxime reactivators across a blood brain barrier model 5b. GRANT NUMBER 1.E005.08.WR 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S
Study of reactive solutes transport and PAH migration in unsaturated soils
International Nuclear Information System (INIS)
Gujisaite, V.; Simonnot, M.O.; Gujisaite, V.; Morel, J.L.; Ouvrard, S.; Simonnot, M.O.; Gaudet, J.P.
2005-01-01
Experimental studies about solute transport in soil have most of the time been conducted under saturated conditions, whereas studies with unsaturated media are usually limited to hydrodynamic analysis. Those are mainly concerning the prediction of water flow, which is the main vector for the transport of contaminants in soil. Only a few studies have made the link between unsaturated flow and physical, chemical and biological interactions, which are controlling the availability of pollutants. However, the presence of a gaseous phase in soil can modify not only the movement of soil solution, but also chemical interactions and exchanges between soil aggregates and solution. Study of reactive solute transport in the vadose zone seems thus to be a necessary stage to predict contaminant fate in natural soils, for risk assessment as well as for the design of effective processes for the remediation of contaminated soils. This question is the main objective of the present work developed in the frame of our French Scientific Interest Group Industrial Wastelands called 'GISFI' (www.gisfi.prd.fr), based around a scientific and technological project dedicated to acquisition of knowledge for sustainable requalification of degraded sites polluted by past industrial activities. We will focus here on Polycyclic Aromatic Hydrocarbons (PAH), which are among the most widely discussed environmental contaminants because of their toxicity for human health and ecosystems. They are present in large quantities in soils polluted by former industrial activities, especially in relation to the coal extraction, exploitation and treatment. An experimental system has been specifically designed at the laboratory scale to carry out experiments under controlled conditions, with an unsaturated steady-state flow. The first experiments are performed on model soils, in order to investigate unsaturated steady-state flow in relation to interactions mechanisms. We have thus chosen to use a sandy
Multidimensional singular integrals and integral equations
Mikhlin, Solomon Grigorievich; Stark, M; Ulam, S
1965-01-01
Multidimensional Singular Integrals and Integral Equations presents the results of the theory of multidimensional singular integrals and of equations containing such integrals. Emphasis is on singular integrals taken over Euclidean space or in the closed manifold of Liapounov and equations containing such integrals. This volume is comprised of eight chapters and begins with an overview of some theorems on linear equations in Banach spaces, followed by a discussion on the simplest properties of multidimensional singular integrals. Subsequent chapters deal with compounding of singular integrals
Reactive transport modeling of nitrogen in Seine River sediments
Akbarzadeh, Z.; Laverman, A.; Raimonet, M.; Rezanezhad, F.; Van Cappellen, P.
2016-02-01
Biogeochemical processes in sediments have a major impact on the fate and transport of nitrogen (N) in river systems. Organic matter decomposition in bottom sediments releases inorganic N species back to the stream water, while denitrification, anammox and burial of organic matter remove bioavailable N from the aquatic environment. To simulate N cycling in river sediments, a multi-component reactive transport model has been developed in MATLAB®. The model includes 3 pools of particulate organic N, plus pore water nitrate, nitrite, nitrous oxide and ammonium. Special attention is given to the production and consumption of nitrite, a N species often neglected in early diagenetic models. Although nitrite is usually considered to be short-lived, elevated nitrite concentrations have been observed in freshwater streams, raising concerns about possible toxic effects. We applied the model to sediment data sets collected at two locations in the Seine River, one upstream, the other downstream, of the largest wastewater treatment plant (WWTP) of the Paris conurbation. The model is able to reproduce the key features of the observed pore water depth profiles of the different nitrogen species. The modeling results show that the presence of oxygen in the overlying water plays a major role in controlling the exchanges of nitrite between the sediments and the stream water. In August 2012, sediments upstream of the WWTP switch from being a sink to a source of nitrite as the overlying water becomes anoxic. Downstream sediments remain a nitrite sink in oxic and anoxic conditions. Anoxic bottom waters at the upstream location promote denitrification, which produces nitrite, while at the downstream site, anammox and DNRA are important removal processes of nitrite.
International Nuclear Information System (INIS)
Fenstermacher, T.E.
1981-01-01
The solution of the neutron transport equation has long been a subject of intense interest to nuclear engineers. Present computer codes for the solution of this equation, however, are expensive to run for large, multidimensional problems, and also suffer from computational problems such as the ray effect. A method has been developed which eliminates many of these problems. It consists of transforming the transport equation into a set of linear partial differential equations by the use of spherical harmonics. The problem volume is divided into mesh boxes, and the flux components are approximated within each mesh box by spatially orthogonal quadratic polynomials, which need not be continuous at mesh box interfaces. A variational principle is developed, and used to solve for the unknown coefficients of these polynomials. Both one dimensional and two dimensional computer codes using this method have been written. The codes have each been tested on several test cases, and the solutions checked against solutions obtained by other methods. While the codes have some difficulty in modeling sharp transients, they produce excellent results on problems where the characteristic lengths are many mean free paths. On one test case, the two dimensional code, SHOP/2D, required only one-fourth the computer time required by the finite difference, discrete ordinates code TWOTRAN to produce a solution. In addition, SHOP/2D converged much better than TWOTRAN and produced more physical-appearing results
Energy Technology Data Exchange (ETDEWEB)
O' Day, Peggy Anne [University of California Merced; Chorover, Jon [University of Arizona; Steefel, Carl [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Mueller, Karl [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Um, Wooyong [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
2016-06-30
Objectives of the Project: 1. Determine the process coupling that occurs between mineral transformation and contaminant (U and Sr) speciation in acid-uranium waste weathered Hanford sediments. 2. Establish linkages between molecular-scale contaminant speciation and meso-scale contaminant lability, release and reactive transport. 3. Make conjunctive use of molecular- to bench-scale data to constrain the development of a mechanistic, reactive transport model that includes coupling of contaminant sorption-desorption and mineral transformation reactions. Hypotheses Tested: Uranium and strontium speciation in legacy sediments from the U-8 and U-12 Crib sites can be reproduced in bench-scale weathering experiments conducted on unimpacted Hanford sediments from the same formations; Reactive transport modeling of future uranium and strontium releases from the vadose zone of acid-waste weathered sediments can be effectively constrained by combining molecular-scale information on contaminant bonding environment with grain-scale information on contaminant phase partitioning, and meso-scale kinetic data on contaminant release from the waste-weathered porous media; Although field contamination and laboratory experiments differ in their diagenetic time scales (decades for field vs. months to years for lab), sediment dissolution, neophase nucleation, and crystal growth reactions that occur during the initial disequilibrium induced by waste-sediment interaction leave a strong imprint that persists over subsequent longer-term equilibration time scales and, therefore, give rise to long-term memory effects. Enabling Capabilities Developed: Our team developed an iterative measure-model approach that is broadly applicable to elucidate the mechanistic underpinnings of reactive contaminant transport in geomedia subject to active weathering.
Analytical Radiation Transport Benchmarks for The Next Century
International Nuclear Information System (INIS)
Ganapol, B.D.
2005-01-01
Verification of large-scale computational algorithms used in nuclear engineering and radiological applications is an essential element of reliable code performance. For this reason, the development of a suite of multidimensional semi-analytical benchmarks has been undertaken to provide independent verification of proper operation of codes dealing with the transport of neutral particles. The benchmarks considered cover several one-dimensional, multidimensional, monoenergetic and multigroup, fixed source and critical transport scenarios. The first approach, called the Green's Function. In slab geometry, the Green's function is incorporated into a set of integral equations for the boundary fluxes. Through a numerical Fourier transform inversion and subsequent matrix inversion for the boundary fluxes, a semi-analytical benchmark emerges. Multidimensional solutions in a variety of infinite media are also based on the slab Green's function. In a second approach, a new converged SN method is developed. In this method, the SN solution is ''minded'' to bring out hidden high quality solutions. For this case multigroup fixed source and criticality transport problems are considered. Remarkably accurate solutions can be obtained with this new method called the Multigroup Converged SN (MGCSN) method as will be demonstrated
Balsara, Dinshaw S.; Nkonga, Boniface
2017-10-01
Just as the quality of a one-dimensional approximate Riemann solver is improved by the inclusion of internal sub-structure, the quality of a multidimensional Riemann solver is also similarly improved. Such multidimensional Riemann problems arise when multiple states come together at the vertex of a mesh. The interaction of the resulting one-dimensional Riemann problems gives rise to a strongly-interacting state. We wish to endow this strongly-interacting state with physically-motivated sub-structure. The fastest way of endowing such sub-structure consists of making a multidimensional extension of the HLLI Riemann solver for hyperbolic conservation laws. Presenting such a multidimensional analogue of the HLLI Riemann solver with linear sub-structure for use on structured meshes is the goal of this work. The multidimensional MuSIC Riemann solver documented here is universal in the sense that it can be applied to any hyperbolic conservation law. The multidimensional Riemann solver is made to be consistent with constraints that emerge naturally from the Galerkin projection of the self-similar states within the wave model. When the full eigenstructure in both directions is used in the present Riemann solver, it becomes a complete Riemann solver in a multidimensional sense. I.e., all the intermediate waves are represented in the multidimensional wave model. The work also presents, for the very first time, an important analysis of the dissipation characteristics of multidimensional Riemann solvers. The present Riemann solver results in the most efficient implementation of a multidimensional Riemann solver with sub-structure. Because it preserves stationary linearly degenerate waves, it might also help with well-balancing. Implementation-related details are presented in pointwise fashion for the one-dimensional HLLI Riemann solver as well as the multidimensional MuSIC Riemann solver.
Multidimensional Data Model and Query Language for Informetrics.
Niemi, Timo; Hirvonen, Lasse; Jarvelin, Kalervo
2003-01-01
Discusses multidimensional data analysis, or online analytical processing (OLAP), which offer a single subject-oriented source for analyzing summary data based on various dimensions. Develops a conceptual/logical multidimensional model for supporting the needs of informetrics, including a multidimensional query language whose basic idea is to…
Directory of Open Access Journals (Sweden)
M. De Lucia
2015-02-01
Full Text Available Fully coupled, multi-phase reactive transport simulations of CO2 storage systems can be approximated by a simplified one-way coupling of hydrodynamics and reactive chemistry. The main characteristics of such systems, and hypotheses underlying the proposed alternative coupling, are (i that the presence of CO2 is the only driving force for chemical reactions and (ii that its migration in the reservoir is only marginally affected by immobilisation due to chemical reactions. In the simplified coupling, the exposure time to CO2 of each element of the hydrodynamic grid is estimated by non-reactive simulations and the reaction path of one single batch geochemical model is applied to each grid element during its exposure time. In heterogeneous settings, analytical scaling relationships provide the dependency of velocity and amount of reactions to porosity and gas saturation. The analysis of TOUGHREACT fully coupled reactive transport simulations of CO2 injection in saline aquifer, inspired to the Ketzin pilot site (Germany, both in homogeneous and heterogeneous settings, confirms that the reaction paths predicted by fully coupled simulations in every element of the grid show a high degree of self-similarity. A threshold value for the minimum concentration of dissolved CO2 considered chemically active is shown to mitigate the effects of the discrepancy between dissolved CO2 migration in non-reactive and fully coupled simulations. In real life, the optimal threshold value is unknown and has to be estimated, e.g. by means of 1-D or 2-D simulations, resulting in an uncertainty ultimately due to the process de-coupling. However, such uncertainty is more than acceptable given that the alternative coupling enables using grids of the order of millions of elements, profiting from much better description of heterogeneous reservoirs at a fraction of the calculation time of fully coupled models.
Cai, Z.; Wen, H.; Li, L.
2017-12-01
Accidental release of Marcellus Shale waters (MSW) can release high concentrations of chemicals that can deteriorate groundwater quality. It is important to understand the reactive transport and fate of chemicals from MSW. Natural aquifers typically have complex mineralogical compositions and are heterogeneous with large spatial variation in terms of physical and geochemical properties. To investigate the effects of mineralogical compositions, flow-through experiments and reactive transport modeling were carried out using 3 large columns (5 cm×50 cm, Quartz, Calcite, and Vermiculite). Results indicate calcite immobilizes heavy metals by precipitation and solid solution partitioning (coprecipitation). Vermiculite retards heavy metals through ion exchange. The sorbed chemicals however slowly release back to the groundwater. Na and Ca transport similarly to Br in Qtz and Cal columns however become sorbed in Vrm column during release through ion exchange by 27.8% and 46.5%, respectively and later slowly release back to aqueous phase. To understand the role of mineral spatial patterns, three 2D flow-cell (40 cm×12 cm×1 cm) experiments were carried out. All flow cells have the same clay mass within quartz matrix but different spatial patterns characterized by the relative length of the clay zone ( 0, ¼, ½) of the domain length (L). Results show that in the uniform column, ion exchange dominates and most Ba sorbs to the solid phase, to an extent Ba cannot precipitate out with SO4 as barite. In 1/2-Zone, however, most Ba precipitates as barite. In 1/4-Zone, both ion exchange and mineral precipitation occur. In general, the 1/2-Zone has the smallest ion exchange capacity for other species including Na, Ca, Mg, K and heavy metals (Mn, Cu, Zn, Cd and Pb) as well. Our flow cell experiment emphasizes the importance of mineral spatial patterns in regulating not only reaction rates but also the type of reactions in controlling the reactive transport of MSW chemicals. The
Energy Technology Data Exchange (ETDEWEB)
Gherardi, F. [Istituto di Geoscienze e Georisorse, Consiglio Nazionale delle Ricerche, Pisa (Italy)
2013-07-15
Serpentinites of Ligurian ophiolites are studied as natural analogues for CO{sub 2} mineral sequestration in Italy. Mineralogical and geochemical observations indicate that silicification and carbonation are typical alteration processes induced by the interaction of CO{sub 2} charged fluids with pristine ultramafic rocks. Multicomponent reactive transport models have been applied to reproduce natural patterns and investigate carbon sequestration efficiency under high P{sub CO2} conditions. Temporal changes in porosity and permeability are predicted to affect the spatial and temporal occurrence of secondary minerals. The feedback between mineralogical transformations and transport properties of the geological media emerges as a key factor controlling the mineral carbonation potential of the investigated ultramafic rocks. (author)
Multi-Dimensional Path Queries
DEFF Research Database (Denmark)
Bækgaard, Lars
1998-01-01
to create nested path structures. We present an SQL-like query language that is based on path expressions and we show how to use it to express multi-dimensional path queries that are suited for advanced data analysis in decision support environments like data warehousing environments......We present the path-relationship model that supports multi-dimensional data modeling and querying. A path-relationship database is composed of sets of paths and sets of relationships. A path is a sequence of related elements (atoms, paths, and sets of paths). A relationship is a binary path...
Xiong, Qingrong; Joseph, Claudia; Schmeide, Katja; Jivkov, Andrey P
2015-11-11
Compacted clays are considered as excellent candidates for barriers to radionuclide transport in future repositories for nuclear waste due to their very low hydraulic permeability. Diffusion is the dominant transport mechanism, controlled by a nano-scale pore system. Assessment of the clays' long-term containment function requires adequate modelling of such pore systems and their evolution. Existing characterisation techniques do not provide complete pore space information for effective modelling, such as pore and throat size distributions and connectivity. Special network models for reactive transport are proposed here using the complimentary character of the pore space and the solid phase. This balances the insufficient characterisation information and provides the means for future mechanical-physical-chemical coupling. The anisotropy and heterogeneity of clays is represented using different length parameters and percentage of pores in different directions. Resulting networks are described as mathematical graphs with efficient discrete calculus formulation of transport. Opalinus Clay (OPA) is chosen as an example. Experimental data for the tritiated water (HTO) and U(vi) diffusion through OPA are presented. Calculated diffusion coefficients of HTO and uranium species are within the ranges of the experimentally determined data in different clay directions. This verifies the proposed pore network model and validates that uranium complexes are diffusing as neutral species in OPA. In the case of U(vi) diffusion the method is extended to account for sorption and convection. Rather than changing pore radii by coarse grained mathematical formula, physical sorption is simulated in each pore, which is more accurate and realistic.
Reactive Transport Models with Geomechanics to Mitigate Risks of CO2 Utilization and Storage
Energy Technology Data Exchange (ETDEWEB)
Deo, Milind [Univ. of Utah, Salt Lake City, UT (United States); Huang, Hai [Univ. of Utah, Salt Lake City, UT (United States); Kweon, Hyukmin [Univ. of Utah, Salt Lake City, UT (United States); Guo, Luanjing [Univ. of Utah, Salt Lake City, UT (United States)
2016-03-28
Reactivity of carbon dioxide (CO_{2}), rocks and brine is important in a number of practical situations in carbon dioxide sequestration. Injectivity of CO_{2} will be affected by near wellbore dissolution or precipitation. Natural fractures or faults containing specific minerals may reactivate leading to induced seismicity. In this project, we first examined if the reactions between CO_{2}, brine and rocks affect the nature of the porous medium and properties including petrophysical properties in the timeframe of the injection operations. This was done by carrying out experiments at sequestration conditions (2000 psi for corefloods and 2400 psi for batch experiments, and 600°C) with three different types of rocks – sandstone, limestone and dolomite. Experiments were performed in batch mode and corefloods were conducted over a two-week period. Batch experiments were performed with samples of differing surface area to understand the impact of surface area on overall reaction rates. Toughreact, a reactive transport model was used to interpret and understand the experimental results. The role of iron in dissolution and precipitation reactions was observed to be significant. Iron containing minerals – siderite and ankerite dissolved resulting in changes in porosity and permeability. Corefloods and batch experiments revealed similar patterns. With the right cationic balance, there is a possibility of precipitation of iron bearing carbonates. The results indicate that during injection operations mineralogical changes may lead to injectivity enhancements near the wellbore and petrophysical changes elsewhere in the system. Limestone and dolomite cores showed consistent dissolution at the entrance of the core. The dissolution led to formation of wormholes and interconnected dissolution zones. Results indicate that near wellbore dissolution in these rock-types may lead to rock failure. Micro-CT images of the cores before and after the experiments
CAMS: OLAPing Multidimensional Data Streams Efficiently
Cuzzocrea, Alfredo
In the context of data stream research, taming the multidimensionality of real-life data streams in order to efficiently support OLAP analysis/mining tasks is a critical challenge. Inspired by this fundamental motivation, in this paper we introduce CAMS (C ube-based A cquisition model for M ultidimensional S treams), a model for efficiently OLAPing multidimensional data streams. CAMS combines a set of data stream processing methodologies, namely (i) the OLAP dimension flattening process, which allows us to obtain dimensionality reduction of multidimensional data streams, and (ii) the OLAP stream aggregation scheme, which aggregates data stream readings according to an OLAP-hierarchy-based membership approach. We complete our analytical contribution by means of experimental assessment and analysis of both the efficiency and the scalability of OLAPing capabilities of CAMS on synthetic multidimensional data streams. Both analytical and experimental results clearly connote CAMS as an enabling component for next-generation Data Stream Management Systems.
International Nuclear Information System (INIS)
Yabusaki, Steven B.; Fang, Yilin; Williams, Kenneth H.; Murray, Christopher J.; Ward, Anderson L.; Dayvault, Richard; Waichler, Scott R.; Newcomer, Darrell R.; Spane, Frank A.; Long, Philip E.
2011-01-01
Field experiments at a former uranium mill tailings site have identified the potential for stimulating indigenous bacteria to catalyze the conversion of aqueous uranium in the +6 oxidation state to immobile solid-associated uranium in the +4 oxidation state. This effectively removes uranium from solution resulting in groundwater concentrations below actionable standards. Three-dimensional, coupled variably-saturated flow and biogeochemical reactive transport modeling of a 2008 in situ uranium bioremediation field experiment is used to better understand the interplay of transport rates and biogeochemical reaction rates that determine the location and magnitude of key reaction products. A comprehensive reaction network, developed largely through previous 1-D modeling studies, was used to simulate the impacts on uranium behavior of pulsed acetate amendment, seasonal water table variation, spatially-variable physical (hydraulic conductivity, porosity) and geochemical (reactive surface area) material properties. A principal challenge is the mechanistic representation of biologically-mediated terminal electron acceptor process (TEAP) reactions whose products significantly alter geochemical controls on uranium mobility through increases in pH, alkalinity, exchangeable cations, and highly reactive reduction products. In general, these simulations of the 2008 Big Rusty acetate biostimulation field experiment in Rifle, Colorado confirmed previously identified behaviors including (1) initial dominance by iron reducing bacteria that concomitantly reduce aqueous U(VI), (2) sulfate reducing bacteria that become dominant after ∼30 days and outcompete iron reducers for the acetate electron donor, (3) continuing iron-reducer activity and U(VI) bioreduction during dominantly sulfate reducing conditions, and (4) lower apparent U(VI) removal from groundwater during dominantly sulfate reducing conditions. New knowledge on simultaneously active metal and sulfate reducers has been
Transport synthetic acceleration scheme for multi-dimensional neutron transport problems
Energy Technology Data Exchange (ETDEWEB)
Modak, R S; Kumar, Vinod; Menon, S V.G. [Theoretical Physics Div., Bhabha Atomic Research Centre, Mumbai (India); Gupta, Anurag [Reactor Physics Design Div., Bhabha Atomic Research Centre, Mumbai (India)
2005-09-15
The numerical solution of linear multi-energy-group neutron transport equation is required in several analyses in nuclear reactor physics and allied areas. Computer codes based on the discrete ordinates (Sn) method are commonly used for this purpose. These codes solve external source problem and K-eigenvalue problem. The overall solution technique involves solution of source problem in each energy group as intermediate procedures. Such a single-group source problem is solved by the so-called Source Iteration (SI) method. As is well-known, the SI-method converges very slowly for optically thick and highly scattering regions, leading to large CPU times. Over last three decades, many schemes have been tried to accelerate the SI; the most prominent being the Diffusion Synthetic Acceleration (DSA) scheme. The DSA scheme, however, often fails and is also rather difficult to implement. In view of this, in 1997, Ramone and others have developed a new acceleration scheme called Transport Synthetic Acceleration (TSA) which is much more robust and easy to implement. This scheme has been recently incorporated in 2-D and 3-D in-house codes at BARC. This report presents studies on the utility of TSA scheme for fairly general test problems involving many energy groups and anisotropic scattering. The scheme is found to be useful for problems in Cartesian as well as Cylindrical geometry. (author)
Transport synthetic acceleration scheme for multi-dimensional neutron transport problems
International Nuclear Information System (INIS)
Modak, R.S.; Vinod Kumar; Menon, S.V.G.; Gupta, Anurag
2005-09-01
The numerical solution of linear multi-energy-group neutron transport equation is required in several analyses in nuclear reactor physics and allied areas. Computer codes based on the discrete ordinates (Sn) method are commonly used for this purpose. These codes solve external source problem and K-eigenvalue problem. The overall solution technique involves solution of source problem in each energy group as intermediate procedures. Such a single-group source problem is solved by the so-called Source Iteration (SI) method. As is well-known, the SI-method converges very slowly for optically thick and highly scattering regions, leading to large CPU times. Over last three decades, many schemes have been tried to accelerate the SI; the most prominent being the Diffusion Synthetic Acceleration (DSA) scheme. The DSA scheme, however, often fails and is also rather difficult to implement. In view of this, in 1997, Ramone and others have developed a new acceleration scheme called Transport Synthetic Acceleration (TSA) which is much more robust and easy to implement. This scheme has been recently incorporated in 2-D and 3-D in-house codes at BARC. This report presents studies on the utility of TSA scheme for fairly general test problems involving many energy groups and anisotropic scattering. The scheme is found to be useful for problems in Cartesian as well as Cylindrical geometry. (author)
Multidimensional poverty, household environment and short-term morbidity in India.
Dehury, Bidyadhar; Mohanty, Sanjay K
2017-01-01
Using the unit data from the second round of the Indian Human Development Survey (IHDS-II), 2011-2012, which covered 42,152 households, this paper examines the association between multidimensional poverty, household environmental deprivation and short-term morbidities (fever, cough and diarrhoea) in India. Poverty is measured in a multidimensional framework that includes the dimensions of education, health and income, while household environmental deprivation is defined as lack of access to improved sanitation, drinking water and cooking fuel. A composite index combining multidimensional poverty and household environmental deprivation has been computed, and households are classified as follows: multidimensional poor and living in a poor household environment, multidimensional non-poor and living in a poor household environment, multidimensional poor and living in a good household environment and multidimensional non-poor and living in a good household environment. Results suggest that about 23% of the population belonging to multidimensional poor households and living in a poor household environment had experienced short-term morbidities in a reference period of 30 days compared to 20% of the population belonging to multidimensional non-poor households and living in a poor household environment, 19% of the population belonging to multidimensional poor households and living in a good household environment and 15% of the population belonging to multidimensional non-poor households and living in a good household environment. Controlling for socioeconomic covariates, the odds of short-term morbidity was 1.47 [CI 1.40-1.53] among the multidimensional poor and living in a poor household environment, 1.28 [CI 1.21-1.37] among the multidimensional non-poor and living in a poor household environment and 1.21 [CI 1.64-1.28] among the multidimensional poor and living in a good household environment compared to the multidimensional non-poor and living in a good household
Diffusive–Dispersive and Reactive Fronts in Porous Media
DEFF Research Database (Denmark)
Haberer, Christina M.; Muniruzzaman, Muhammad; Grathwohl, Peter
2015-01-01
, across the unsaturated–saturated interface, under both conservative and reactive transport conditions. As reactive system we considered the abiotic oxidation of Fe2+ in the presence of O2. We studied the reaction kinetics in batch experiments and its coupling with diffusive and dispersive transport...... processes by means of one-dimensional columns and two-dimensional flow-through experiments, respectively. A noninvasive optode technique was used to track O2 transport into the initially anoxic porous medium at highly resolved spatial and temporal scales. The results show significant differences...
MODA: a new algorithm to compute optical depths in multidimensional hydrodynamic simulations
Perego, Albino; Gafton, Emanuel; Cabezón, Rubén; Rosswog, Stephan; Liebendörfer, Matthias
2014-08-01
Aims: We introduce the multidimensional optical depth algorithm (MODA) for the calculation of optical depths in approximate multidimensional radiative transport schemes, equally applicable to neutrinos and photons. Motivated by (but not limited to) neutrino transport in three-dimensional simulations of core-collapse supernovae and neutron star mergers, our method makes no assumptions about the geometry of the matter distribution, apart from expecting optically transparent boundaries. Methods: Based on local information about opacities, the algorithm figures out an escape route that tends to minimize the optical depth without assuming any predefined paths for radiation. Its adaptivity makes it suitable for a variety of astrophysical settings with complicated geometry (e.g., core-collapse supernovae, compact binary mergers, tidal disruptions, star formation, etc.). We implement the MODA algorithm into both a Eulerian hydrodynamics code with a fixed, uniform grid and into an SPH code where we use a tree structure that is otherwise used for searching neighbors and calculating gravity. Results: In a series of numerical experiments, we compare the MODA results with analytically known solutions. We also use snapshots from actual 3D simulations and compare the results of MODA with those obtained with other methods, such as the global and local ray-by-ray method. It turns out that MODA achieves excellent accuracy at a moderate computational cost. In appendix we also discuss implementation details and parallelization strategies.
Energy Technology Data Exchange (ETDEWEB)
Reimus, Paul W [Los Alamos National Laboratory
2010-12-08
A process-oriented modeling approach is implemented to examine the importance of parameter variances, correlation lengths, and especially cross-correlations in contaminant transport predictions over large scales. It is shown that the most important consideration is the correlation between flow rates and retardation processes (e.g., sorption, matrix diffusion) in the system. lf flow rates are negatively correlated with retardation factors in systems containing multiple flow pathways, then characterizing these negative correlation(s) may have more impact on reactive transport modeling than microscale information. Such negative correlations are expected in porous-media systems where permeability is negatively correlated with clay content and rock alteration (which are usually associated with increased sorption). Likewise, negative correlations are expected in fractured rocks where permeability is positively correlated with fracture apertures, which in turn are negatively correlated with sorption and matrix diffusion. Parameter variances and correlation lengths are also shown to have important effects on reactive transport predictions, but they are less important than parameter cross-correlations. Microscale information pertaining to contaminant transport has become more readily available as characterization methods and spectroscopic instrumentation have achieved lower detection limits, greater resolution, and better precision. Obtaining detailed mechanistic insights into contaminant-rock-water interactions is becoming a routine practice in characterizing reactive transport processes in groundwater systems (almost necessary for high-profile publications). Unfortunately, a quantitative link between microscale information and flow and transport parameter distributions or cross-correlations has not yet been established. One reason for this is that quantitative microscale information is difficult to obtain in complex, heterogeneous systems. So simple systems that lack the
Multidimensional quantum entanglement with large-scale integrated optics.
Wang, Jianwei; Paesani, Stefano; Ding, Yunhong; Santagati, Raffaele; Skrzypczyk, Paul; Salavrakos, Alexia; Tura, Jordi; Augusiak, Remigiusz; Mančinska, Laura; Bacco, Davide; Bonneau, Damien; Silverstone, Joshua W; Gong, Qihuang; Acín, Antonio; Rottwitt, Karsten; Oxenløwe, Leif K; O'Brien, Jeremy L; Laing, Anthony; Thompson, Mark G
2018-04-20
The ability to control multidimensional quantum systems is central to the development of advanced quantum technologies. We demonstrate a multidimensional integrated quantum photonic platform able to generate, control, and analyze high-dimensional entanglement. A programmable bipartite entangled system is realized with dimensions up to 15 × 15 on a large-scale silicon photonics quantum circuit. The device integrates more than 550 photonic components on a single chip, including 16 identical photon-pair sources. We verify the high precision, generality, and controllability of our multidimensional technology, and further exploit these abilities to demonstrate previously unexplored quantum applications, such as quantum randomness expansion and self-testing on multidimensional states. Our work provides an experimental platform for the development of multidimensional quantum technologies. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.
Multidimensional Poverty and Child Survival in India
Mohanty, Sanjay K.
2011-01-01
Background Though the concept of multidimensional poverty has been acknowledged cutting across the disciplines (among economists, public health professionals, development thinkers, social scientists, policy makers and international organizations) and included in the development agenda, its measurement and application are still limited. Objectives and Methodology Using unit data from the National Family and Health Survey 3, India, this paper measures poverty in multidimensional space and examine the linkages of multidimensional poverty with child survival. The multidimensional poverty is measured in the dimension of knowledge, health and wealth and the child survival is measured with respect to infant mortality and under-five mortality. Descriptive statistics, principal component analyses and the life table methods are used in the analyses. Results The estimates of multidimensional poverty are robust and the inter-state differentials are large. While infant mortality rate and under-five mortality rate are disproportionately higher among the abject poor compared to the non-poor, there are no significant differences in child survival among educationally, economically and health poor at the national level. State pattern in child survival among the education, economical and health poor are mixed. Conclusion Use of multidimensional poverty measures help to identify abject poor who are unlikely to come out of poverty trap. The child survival is significantly lower among abject poor compared to moderate poor and non-poor. We urge to popularize the concept of multiple deprivations in research and program so as to reduce poverty and inequality in the population. PMID:22046384
Multidimensional poverty and child survival in India.
Directory of Open Access Journals (Sweden)
Sanjay K Mohanty
Full Text Available Though the concept of multidimensional poverty has been acknowledged cutting across the disciplines (among economists, public health professionals, development thinkers, social scientists, policy makers and international organizations and included in the development agenda, its measurement and application are still limited. OBJECTIVES AND METHODOLOGY: Using unit data from the National Family and Health Survey 3, India, this paper measures poverty in multidimensional space and examine the linkages of multidimensional poverty with child survival. The multidimensional poverty is measured in the dimension of knowledge, health and wealth and the child survival is measured with respect to infant mortality and under-five mortality. Descriptive statistics, principal component analyses and the life table methods are used in the analyses.The estimates of multidimensional poverty are robust and the inter-state differentials are large. While infant mortality rate and under-five mortality rate are disproportionately higher among the abject poor compared to the non-poor, there are no significant differences in child survival among educationally, economically and health poor at the national level. State pattern in child survival among the education, economical and health poor are mixed.Use of multidimensional poverty measures help to identify abject poor who are unlikely to come out of poverty trap. The child survival is significantly lower among abject poor compared to moderate poor and non-poor. We urge to popularize the concept of multiple deprivations in research and program so as to reduce poverty and inequality in the population.
Multidimensional poverty and child survival in India.
Mohanty, Sanjay K
2011-01-01
Though the concept of multidimensional poverty has been acknowledged cutting across the disciplines (among economists, public health professionals, development thinkers, social scientists, policy makers and international organizations) and included in the development agenda, its measurement and application are still limited. OBJECTIVES AND METHODOLOGY: Using unit data from the National Family and Health Survey 3, India, this paper measures poverty in multidimensional space and examine the linkages of multidimensional poverty with child survival. The multidimensional poverty is measured in the dimension of knowledge, health and wealth and the child survival is measured with respect to infant mortality and under-five mortality. Descriptive statistics, principal component analyses and the life table methods are used in the analyses. The estimates of multidimensional poverty are robust and the inter-state differentials are large. While infant mortality rate and under-five mortality rate are disproportionately higher among the abject poor compared to the non-poor, there are no significant differences in child survival among educationally, economically and health poor at the national level. State pattern in child survival among the education, economical and health poor are mixed. Use of multidimensional poverty measures help to identify abject poor who are unlikely to come out of poverty trap. The child survival is significantly lower among abject poor compared to moderate poor and non-poor. We urge to popularize the concept of multiple deprivations in research and program so as to reduce poverty and inequality in the population.
The emergence and evolution of the multidimensional organization
Strikwerda, J.; Stoelhorst, J.W.
2009-01-01
The article discusses multidimensional organizations and the evolution of complex organizations. The six characteristics of multidimensional organizations, disadvantages of the successful organizational structure that is categorized as a multidivisional, multi-unit or M-form, research by the Foundation for Management Studies which suggests that synergies across business divisions can be exploited by the M-form, a team approach to creating economic value, examples of multidimensional firms suc...
Fossati, Andrea; Borroni, Serena; Eisenberg, Nancy; Maffei, Cesare
2009-01-01
In recent years, there has been increasing acknowledgement of the multidimensionality of narcissism and that different types of narcissism may relate differently to other domains of functioning. Similarly, aggression—a frequently discussed correlate of narcissism--is a heterogeneous construct. In the present study, the relations of proactive and reactive aggression with overt and covert manifestations of narcissism were examined in a sample of 674 Italian high school students (mean age = 15.5 years, SD = 2.1 years). Overt narcissism was positively related to both proactive and reactive subtypes of aggression, whereas covert narcissism related only to reactive aggression. Vanity, Authority, Exhibitionism, and Exploitativeness were the components of overt narcissism related to Proactive Aggression (all remained unique correlates when controlling for Reactive Aggression), whereas Reactive Aggression was associated with the Exhibitionism, Superiority, and Entitlement subscales (only the latter was uniquely related when controlling for Proactive Aggression). PMID:19918915
PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers
Energy Technology Data Exchange (ETDEWEB)
Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan; Mills, Richard T.
2012-04-18
PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface processes, has been designed from the ground up to run efficiently on machines ranging from leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++ codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to manage parallel solvers, data structures and communication. Features of the code include a modular input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple realization simulations with multiple processors per realization in a seamless manner, and multiple modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently implemented in the code include homogeneous aqueous complexing reactions and heterogeneous mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption model. PFLOTRAN has demonstrated petascale performance using 2{sup 17} processor cores with over 2 billion degrees of freedom. Accomplishments achieved to date include applications to the Hanford 300 Area and modeling CO{sub 2} sequestration in deep geologic formations.
Transport phenomena an introduction to advanced topics
Glasgow, Larry A
2010-01-01
Enables readers to apply transport phenomena principles to solve advanced problems in all areas of engineering and science This book helps readers elevate their understanding of, and their ability to apply, transport phenomena by introducing a broad range of advanced topics as well as analytical and numerical solution techniques. Readers gain the ability to solve complex problems generally not addressed in undergraduate-level courses, including nonlinear, multidimensional transport, and transient molecular and convective transport scenarios. Avoiding rote memorization, the author em
Runkel, R.L.; Kimball, B.A.
2002-01-01
A reactive transport model based on one-dimensional transport and equilibrium chemistry is applied to synoptic data from an acid mine drainage stream. Model inputs include streamflow estimates based on tracer dilution, inflow chemistry based on synoptic sampling, and equilibrium constants describing acid/base, complexation, precipitation/dissolution, and sorption reactions. The dominant features of observed spatial profiles in pH and metal concentration are reproduced along the 3.5-km study reach by simulating the precipitation of Fe(III) and Al solid phases and the sorption of Cu, As, and Pb onto freshly precipitated iron-(III) oxides. Given this quantitative description of existing conditions, additional simulations are conducted to estimate the streamwater quality that could result from two hypothetical remediation plans. Both remediation plans involve the addition of CaCO3 to raise the pH of a small, acidic inflow from ???2.4 to ???7.0. This pH increase results in a reduced metal load that is routed downstream by the reactive transport model, thereby providing an estimate of post-remediation water quality. The first remediation plan assumes a closed system wherein inflow Fe(II) is not oxidized by the treatment system; under the second remediation plan, an open system is assumed, and Fe(II) is oxidized within the treatment system. Both plans increase instream pH and substantially reduce total and dissolved concentrations of Al, As, Cu, and Fe(II+III) at the terminus of the study reach. Dissolved Pb concentrations are reduced by ???18% under the first remediation plan due to sorption onto iron-(III) oxides within the treatment system and stream channel. In contrast, iron(III) oxides are limiting under the second remediation plan, and removal of dissolved Pb occurs primarily within the treatment system. This limitation results in an increase in dissolved Pb concentrations over existing conditions as additional downstream sources of Pb are not attenuated by
Azaroual, M. M.; Lassin, A., Sr.; André, L., Sr.; Devau, N., Sr.; Leroy, P., Sr.
2017-12-01
The near well bore of CO2 injection in saline aquifer is the main sensitive part of the targeted carbone storage reservoirs. The recent development of microfluidics tools mimicking porous media of geological reservoirs allowed studying physical, physico-chemical and thermodynamic mechanisms. We used the GLoCs "Geological Labs on Chip" to study dynamic and reactive transport processes at the pore scale induced by the CO2 geological storage. The present work is a first attempt to reproduce, by reactive transport modeling, an experiment of calcium carbonate precipitation during the co-injection of two aqueous solutions in a GLoC device. For that purpose, a new kinetics model, based on the transition-state-theory and on surface complexation modeling, was developed to describe the co-precipitation of amorphous calcium carbonate (ACC) and calcite. ACC precipitates and creates surface complexation sites from which calcite can nucleate and create new surface complexation sites. When the kinetics of calcite precipitation are fast enough, the consumption of matter leads to the dissolution of ACC. The modeling results were first compared to batch experiments (from the literature) and then applied with success to dynamic experiment observations carried out on a GLoC device (from the literature). On the other hand, we evaluated the solubility of CO2 in capillary waters that increases between 5 to 10 folds for reservoir conditions (200 bar and 100°C) compared to the bulk water. The GLoCs tools started to address an excellent and much finer degree of processes control (reactive transport processes, mixing effects, minerals precipitation and dissolution kinetics, etc.) thanks to in situ analysis and characterization techniques, allowing access in real time to relevant properties. Current investigations focus on key parameters influencing the flowing dynamics and trapping mechanisms (relative permeability, capillary conditions, kinetics of dissolution and precipitation of minerals).
DEFF Research Database (Denmark)
Jensen, Mads Mønster; De Weerdt, K.; Johannesson, Björn
2015-01-01
Simulations of ion ingress in Portland cement mortar using a multi-species reactive mass transport model are compared with experimental test results. The model is an extended version of the Poisson–Nernst–Planck equations, accounting for chemical equilibrium. Saturated mortar samples were exposed...
A nodal collocation approximation for the multi-dimensional PL equations - 2D applications
International Nuclear Information System (INIS)
Capilla, M.; Talavera, C.F.; Ginestar, D.; Verdu, G.
2008-01-01
A classical approach to solve the neutron transport equation is to apply the spherical harmonics method obtaining a finite approximation known as the P L equations. In this work, the derivation of the P L equations for multi-dimensional geometries is reviewed and a nodal collocation method is developed to discretize these equations on a rectangular mesh based on the expansion of the neutronic fluxes in terms of orthogonal Legendre polynomials. The performance of the method and the dominant transport Lambda Modes are obtained for a homogeneous 2D problem, a heterogeneous 2D anisotropic scattering problem, a heterogeneous 2D problem and a benchmark problem corresponding to a MOX fuel reactor core
DEFF Research Database (Denmark)
Fakhreddine, Sarah; Lee, Jonghyun; Kitanidis, Peter K.
2016-01-01
groundwater parameters. Specifically, we simulate the mobilization of arsenic via kinetic oxidative dissolution of As-bearing pyrite due to dissolved oxygen in the ambient groundwater, which is an important mechanism for arsenic release in groundwater both under natural conditions and engineering applications......The spatial distribution of reactive minerals in the subsurface is often a primary factor controlling the fate and transport of contaminants in groundwater systems. However, direct measurement and estimation of heterogeneously distributed minerals are often costly and difficult to obtain. While...
International Nuclear Information System (INIS)
Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten
2004-01-01
Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of mineral alteration in hydrothermal systems, waste disposal sites, acid mine drainage remediation, contaminant transport, and groundwater quality. A comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator, TOUGHREACT, has been developed. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The program can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The model can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can proceed either subject to local equilibrium or kinetic conditions. Changes in porosity and permeability due to mineral dissolution and precipitation can be considered. Linear adsorption and decay can be included. For the purpose of future extensions, surface complexation by double layer model is coded in the program. Xu and Pruess (1998) developed a first version of a non-isothermal reactive geochemical transport model, TOUGHREACT, by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). Xu, Pruess, and their colleagues have applied the program to a variety of problems such as: (1) supergene copper enrichment (Xu et al, 2001), (2) caprock mineral alteration in a hydrothermal system (Xu and Pruess, 2001a), and (3) mineral trapping for CO 2 disposal in deep saline aquifers (Xu et al, 2003b and 2004a). For modeling the coupled thermal, hydrological, and chemical processes during heater
Multidimensional fatigue and its correlates in hospitalised advanced cancer patients.
Echteld, M.A.; Passchier, J.; Teunissen, S.; Claessen, S.; Wit, R. de; Rijt, C.C.D. van der
2007-01-01
Although fatigue is a multidimensional concept, multidimensional fatigue is rarely investigated in hospitalised cancer patients. We determined the levels and correlates of multidimensional fatigue in 100 advanced cancer patients admitted for symptom control. Fatigue dimensions were general fatigue
Energy Technology Data Exchange (ETDEWEB)
Kurashima-Ito, Kaori [RIKEN, Cellular and Molecular Biology Laboratory (Japan); Ikeya, Teppei [National Institute of Advanced Industrial Science and Technology (AIST), (Japan); Senbongi, Hiroshi [Mitochondrial Diseases Group, MRC Dunn Human NutritionUnit (United Kingdom); Tochio, Hidehito [International Graduate School of Arts and Sciences, Supramolecular Biology, Yokohama City University, Molecular Biophysics Laboratory (Japan); Mikawa, Tsutomu [RIKEN, Cellular and Molecular Biology Laboratory (Japan); Shibata, Takehiko [RIKEN, Shibata Distinguished Senior Scientist Laboratory (Japan); Ito, Yutaka [RIKEN, Cellular and Molecular Biology Laboratory (Japan)], E-mail: ito-yutaka@center.tmu.ac.jp
2006-05-15
Human ATP-binding cassette, sub-family B, member 6 (ABCB6) is a mitochondrial ABC transporter, and presumably contributes to iron homeostasis. Aimed at understanding the structural basis for the conformational changes accompanying the substrate-transportation cycle, we have studied the C-terminal nucleotide-binding domain of ABCB6 (ABCB6-C) in both the nucleotide-free and ADP-bound states by heteronuclear multidimensional NMR and homology modelling. A non-linear sampling scheme was utilised for indirectly acquired {sup 13}C and {sup 15}N dimensions of all 3D triple-resonance NMR experiments, in order to overcome the instability and the low solubility of ABCB6-C. The backbone resonances for approximately 25% of non-proline residues, which are mostly distributed around the functionally important loops and in the Helical domain, were not observed for nucleotide-free form of ABCB6-C. From the pH, temperature and magnetic field strength dependencies of the resonance intensities, we concluded that this incompleteness in the assignments is mainly due to the exchange between multiple conformations at an intermediate rate on the NMR timescale. These localised conformational dynamics remained in ADP-bound ABCB6-C except for the loops responsible for adenine base and {alpha}/{beta}-phosphate binding. These results revealed that the localised dynamic cooperativity, which was recently proposed for a prokaryotic ABC MJ1267, also exists in a higher eukaryotic ABC, and is presumably shared by all members of the ABC family. Since the Helical domain is the putative interface to the transmembrane domain, this cooperativity may explain the coupled functions between domains in the substrate-transportation cycle.
Intuitionistic fuzzy (IF) evaluations of multidimensional model
International Nuclear Information System (INIS)
Valova, I.
2012-01-01
There are different logical methods for data structuring, but no one is perfect enough. Multidimensional model-MD of data is presentation of data in a form of cube (referred also as info-cube or hypercube) with data or in form of 'star' type scheme (referred as multidimensional scheme), by use of F-structures (Facts) and set of D-structures (Dimensions), based on the notion of hierarchy of D-structures. The data, being subject of analysis in a specific multidimensional model is located in a Cartesian space, being restricted by D-structures. In fact, the data is either dispersed or 'concentrated', therefore the data cells are not distributed evenly within the respective space. The moment of occurrence of any event is difficult to be predicted and the data is concentrated as per time periods, location of performed business event, etc. To process such dispersed or concentrated data, various technical strategies are needed. The basic methods for presentation of such data should be selected. The approaches of data processing and respective calculations are connected with different options for data representation. The use of intuitionistic fuzzy evaluations (IFE) provide us new possibilities for alternative presentation and processing of data, subject of analysis in any OLAP application. The use of IFE at the evaluation of multidimensional models will result in the following advantages: analysts will dispose with more complete information for processing and analysis of respective data; benefit for the managers is that the final decisions will be more effective ones; enabling design of more functional multidimensional schemes. The purpose of this work is to apply intuitionistic fuzzy evaluations of multidimensional model of data. (authors)
Energy Technology Data Exchange (ETDEWEB)
Perez-Lopez, R.; Cama, J.; Nieto, J.M.; Ayora, C.; Saaltink, M.W. [University of Huelva, Huelva (Spain). Dept. of Geology
2009-09-15
Conventional permeable reactive barriers (PRBs) for passive treatment of groundwater contaminated by acid mine drainage (AMD) use limestone as reactive material that neutralizes water acidity. However, the limestone-alkalinity potential ceases as inevitable precipitation of secondary metal-phases on grain surfaces occurs, limiting its efficiency. In the present study, fly ash derived from coal combustion is investigated as an alternative alkalinity generating material for the passive treatment of AMD using solution-saturated column experiments. Unlike conventional systems, the utilization of fly ash in a pre-barrier to intercept the non-polluted recharge water before this water reacts with pyrite-rich wastes is proposed. Chemical variation in the columns was interpreted with the reactive transport code RETRASO. In parallel, kinetics of fly ash dissolution at alkaline pH were studied using flow-through experiments and incorporated into the model. In a saturated column filled solely with pyritic sludge-quartz sand (1: 10), oxidation took place at acidic conditions (pH 3.7). According to SO{sub 4}{sup 2-} release and pH, pyrite dissolution occurred favourably in the solution-saturated porous medium until dissolved O{sub 2} was totally consumed. In a second saturated column, pyrite oxidation took place at alkaline conditions (pH 10.45) as acidity was neutralized by fly ash dissolution in a previous level. At this pH Fe release from pyrite dissolution was immediately depleted as Fe-oxy(hydroxide) phases that precipitated on the pyrite grains, forming Fe-coatings (microencapsulation). With time, pyrite microencapsulation inhibited oxidation in practically 97% of the pyritic sludge. Rapid pyrite-surface passivation decreased its reactivity, preventing AMD production in the relatively short term.
Inference of reactive transport model parameters using a Bayesian multivariate approach
Carniato, Luca; Schoups, Gerrit; van de Giesen, Nick
2014-08-01
Parameter estimation of subsurface transport models from multispecies data requires the definition of an objective function that includes different types of measurements. Common approaches are weighted least squares (WLS), where weights are specified a priori for each measurement, and weighted least squares with weight estimation (WLS(we)) where weights are estimated from the data together with the parameters. In this study, we formulate the parameter estimation task as a multivariate Bayesian inference problem. The WLS and WLS(we) methods are special cases in this framework, corresponding to specific prior assumptions about the residual covariance matrix. The Bayesian perspective allows for generalizations to cases where residual correlation is important and for efficient inference by analytically integrating out the variances (weights) and selected covariances from the joint posterior. Specifically, the WLS and WLS(we) methods are compared to a multivariate (MV) approach that accounts for specific residual correlations without the need for explicit estimation of the error parameters. When applied to inference of reactive transport model parameters from column-scale data on dissolved species concentrations, the following results were obtained: (1) accounting for residual correlation between species provides more accurate parameter estimation for high residual correlation levels whereas its influence for predictive uncertainty is negligible, (2) integrating out the (co)variances leads to an efficient estimation of the full joint posterior with a reduced computational effort compared to the WLS(we) method, and (3) in the presence of model structural errors, none of the methods is able to identify the correct parameter values.
International Nuclear Information System (INIS)
Apul, Defne S.; Gardner, Kevin H.; Eighmy, T. Taylor
2007-01-01
The goal of this research was to provide a tool for regulators to evaluate the groundwater contamination from the use of virgin and secondary materials in road construction. A finite element model, HYDRUS2D, was used to evaluate generic scenarios for secondary material use in base layers. Use of generic model results for particular applications was demonstrated through a steel slag example. The hydrology and reactive transport of contaminants were modeled in a two-dimensional cross section of a road. Model simulations showed that in an intact pavement, lateral velocities from the edge towards the centerline may transport contaminants in the base layer. The dominant transport mechanisms are advection closer to the edge and diffusion closer to the centerline. A shoulder joint in the pavement allows 0.03 to 0.45 m 3 /day of infiltration per meter of joint length as a function of the base and subgrade hydrology and the rain intensity. Scenario simulations showed that salts in the base layer of pavements are depleted by 99% in the first 20 years, whereas the metals may not reach the groundwater in 20 years at any significant concentrations if the pavement is built on adsorbing soils
International Nuclear Information System (INIS)
Dimier, A.; Michau, N.; Montarnal, Ph.; Corrihons, F.
2003-01-01
Safety studies in a subsurface environment and in an underground waste disposal necessitate numerical tools for reactive transport modelling. In these systems, hydrogeological and chemical processes are closely related and their interdependence must be analysed to study migration of species. We will illustrate here the capacities of the Alliances tool to simulate such a phenomenology by studying the evolution of a clay/cement interface over time. The goal being defined, the two main employed software to build up a multidimensional tool have been chosen, namely PhreeqC and Chess for chemistry. A common model has been developed whose aim is to allow models comparison while switching between the chemistry tools. For transport, Castem and Mt3d-99 have been introduced with the same philosophy of structure. It is worth noting that other tools could be introduced, the only requirement being to satisfy the specific data-model and building up the appropriate methods. Qualification cases have been built up to define the platform application field. It has been defined with one and two dimensional cases enabling a comparison with analytic solutions or an intercomparison with other reactive transport codes. To illustrate this in the chemistry coupling field, we focus on a clay cement interface with an ion exchange linked to the Ca-montmorillonite. This case has been defined at ANDRA to be used as a reference test case for chemistry coupling validation. Results show a good agreement between platform results and whose of PhreeqC with its own internal coupling. The clay/cement interface is reproduced with the same accuracy
Symbolic Multidimensional Scaling
P.J.F. Groenen (Patrick); Y. Terada
2015-01-01
markdownabstract__Abstract__ Multidimensional scaling (MDS) is a technique that visualizes dissimilarities between pairs of objects as distances between points in a low dimensional space. In symbolic MDS, a dissimilarity is not just a value but can represent an interval or even a histogram. Here,
Montmorillonite dissolution kinetics: Experimental and reactive transport modeling interpretation
Cappelli, Chiara; Yokoyama, Shingo; Cama, Jordi; Huertas, F. Javier
2018-04-01
The dissolution kinetics of K-montmorillonite was studied at 25 °C, acidic pH (2-4) and 0.01 M ionic strength by means of well-mixed flow-through experiments. The variations of Si, Al and Mg over time resulted in high releases of Si and Mg and Al deficit, which yielded long periods of incongruent dissolution before reaching stoichiometric steady state. This behavior was caused by simultaneous dissolution of nanoparticles and cation exchange between the interlayer K and released Ca, Mg and Al and H. Since Si was only involved in the dissolution reaction, it was used to calculate steady-state dissolution rates, RSi, over a wide solution saturation state (ΔGr ranged from -5 to -40 kcal mol-1). The effects of pH and the degree of undersaturation (ΔGr) on the K-montmorillonite dissolution rate were determined using RSi. Employing dissolution rates farthest from equilibrium, the catalytic pH effect on the K-montmorillonite dissolution rate was expressed as Rdiss = k·aH0.56±0.05 whereas using all dissolution rates, the ΔGr effect was expressed as a non-linear f(ΔGr) function Rdiss = k · [1 - exp(-3.8 × 10-4 · (|ΔGr|/RT)2.13)] The functionality of this expression is similar to the equations reported for dissolution of Na-montmorillonite at pH 3 and 50 °C (Metz, 2001) and Na-K-Ca-montmorillonite at pH 9 and 80 °C (Cama et al., 2000; Marty et al., 2011), which lends support to the use of a single f(ΔGr) term to calculate the rate over the pH range 0-14. Thus, we propose a rate law that also accounts for the effect of pOH and temperature by using the pOH-rate dependence and the apparent activation energy proposed by Rozalén et al. (2008) and Amram and Ganor (2005), respectively, and normalizing the dissolution rate constant with the edge surface area of the K-montmorillonite. 1D reactive transport simulations of the experimental data were performed using the Crunchflow code (Steefel et al., 2015) to quantitatively interpret the evolution of the released cations
An Improved Multidimensional MPA Procedure for Bidirectional Earthquake Excitations
Wang, Feng; Sun, Jian-Gang; Zhang, Ning
2014-01-01
Presently, the modal pushover analysis procedure is extended to multidimensional analysis of structures subjected to multidimensional earthquake excitations. an improved multidimensional modal pushover analysis (IMMPA) method is presented in the paper in order to estimate the response demands of structures subjected to bidirectional earthquake excitations, in which the unidirectional earthquake excitation applied on equivalent SDOF system is replaced by the direct superposition of two compone...
The emergence and evolution of the multidimensional organization
Strikwerda, J.; Stoelhorst, J.W.
2009-01-01
The article discusses multidimensional organizations and the evolution of complex organizations. The six characteristics of multidimensional organizations, disadvantages of the successful organizational structure that is categorized as a multidivisional, multi-unit or M-form, research by the
Perceptual Salience and Children's Multidimensional Problem Solving
Odom, Richard D.; Corbin, David W.
1973-01-01
Uni- and multidimensional processing of 6- to 9-year olds was studied using recall tasks in which an array of stimuli was reconstructed to match a model array. Results indicated that both age groups were able to solve multidimensional problems, but that solution rate was retarded by the unidimensional processing of highly salient dimensions.…
A Conceptual Model for Multidimensional Analysis of Documents
Ravat, Franck; Teste, Olivier; Tournier, Ronan; Zurlfluh, Gilles
Data warehousing and OLAP are mainly used for the analysis of transactional data. Nowadays, with the evolution of Internet, and the development of semi-structured data exchange format (such as XML), it is possible to consider entire fragments of data such as documents as analysis sources. As a consequence, an adapted multidimensional analysis framework needs to be provided. In this paper, we introduce an OLAP multidimensional conceptual model without facts. This model is based on the unique concept of dimensions and is adapted for multidimensional document analysis. We also provide a set of manipulation operations.
Multidimensional Measurement of Poverty among Women in Sub-Saharan Africa
Batana, Yele Maweki
2013-01-01
Since the seminal work of Sen, poverty has been recognized as a multidimensional phenomenon. The recent availability of relevant databases renewed the interest in this approach. This paper estimates multidimensional poverty among women in fourteen Sub-Saharan African countries using the Alkire and Foster multidimensional poverty measures, whose…
Application of multidimensional IRT models to longitudinal data
te Marvelde, J.M.; Glas, Cornelis A.W.; Van Landeghem, Georges; Van Damme, Jan
2006-01-01
The application of multidimensional item response theory (IRT) models to longitudinal educational surveys where students are repeatedly measured is discussed and exemplified. A marginal maximum likelihood (MML) method to estimate the parameters of a multidimensional generalized partial credit model
Multidimensional sexual perfectionism.
Stoeber, Joachim; Harvey, Laura N; Almeida, Isabel; Lyons, Emma
2013-11-01
Perfectionism is a multidimensional personality characteristic that can affect all areas of life. This article presents the first systematic investigation of multidimensional perfectionism in the domain of sexuality exploring the unique relationships that different forms of sexual perfectionism show with positive and negative aspects of sexuality. A sample of 272 university students (52 male, 220 female) completed measures of four forms of sexual perfectionism: self-oriented, partner-oriented, partner-prescribed, and socially prescribed. In addition, they completed measures of sexual esteem, sexual self-efficacy, sexual optimism, sex life satisfaction (capturing positive aspects of sexuality) and sexual problem self-blame, sexual anxiety, sexual depression, and negative sexual perfectionism cognitions during sex (capturing negative aspects). Results showed unique patterns of relationships for the four forms of sexual perfectionism, suggesting that partner-prescribed and socially prescribed sexual perfectionism are maladaptive forms of sexual perfectionism associated with negative aspects of sexuality whereas self-oriented and partner-oriented sexual perfectionism emerged as ambivalent forms associated with positive and negative aspects.
Energy Technology Data Exchange (ETDEWEB)
Chorover, Jon [Univ. of Arizona, Tucson, AZ (United States); Perdrial, Nico [Univ. of Arizona, Tucson, AZ (United States); Mueller, Karl [Pennsylvania State Univ., University Park, PA (United States); Strepka, Caleb [Pennsylvania State Univ., University Park, PA (United States); O' Day, Peggy [Univ. of California, Merced, CA (United States); Rivera, Nelson [Univ. of California, Merced, CA (United States); Um, Wooyong [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Chang, Hyun-Shik [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Steefel, Carl [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Thompson, Aaron [Univ. of Georgia, Athens, GA (United States)
2012-08-14
Hanford sediments impacted by hyperalkaline high level radioactive waste have undergone incongruent silicate mineral weathering concurrent with contaminant uptake (Chorover et al., 2008). In this project, we studied the impact of background pore water (BPW) on strontium, cesium and iodine desorption and transport in Hanford sediments that were experimentally weathered by contact with simulated hyperalkaline tank waste leachate (STWL) solutions. Using those lab-weathered Hanford sediments (HS) and model precipitates formed during nucleation from homogeneous STWL solutions (HN), we (i) provided thorough characterization of reaction products over a matrix of field-relevant gradients in contaminant concentration, P_{CO2}, and reaction time; (ii) improved molecular-scale understanding of how sorbate speciation controls contaminant desorption from weathered sediments upon removal of caustic sources; and (iii) developed a mechanistic, predictive model of meso- to field-scale contaminant reactive transport under these conditions. Below, we provide some detailed descriptions of our results from this three year study, recently completed following a one-year no cost extension.
Energy Technology Data Exchange (ETDEWEB)
Chorover, Jon; Perdrial, Nico; Mueller, Karl; Strepka, Caleb; OÃÂÃÂ¢ÃÂÃÂÃÂÃÂDay, Peggy; Rivera, Nelson; Um, Wooyong; Chang, Hyun-Shik; Steefel, Carl; Thompson, Aaron
2012-11-05
Hanford sediments impacted by hyperalkaline high level radioactive waste have undergone incongruent silicate mineral weathering concurrent with contaminant uptake. In this project, we studied the impact of background pore water (BPW) on strontium, cesium and iodine desorption and transport in Hanford sediments that were experimentally weathered by contact with simulated hyperalkaline tank waste leachate (STWL) solutions. Using those lab-weathered Hanford sediments (HS) and model precipitates formed during nucleation from homogeneous STWL solutions (HN), we (i) provided thorough characterization of reaction products over a matrix of field-relevant gradients in contaminant concentration, partial pressure of carbon dioxide, and reaction time; (ii) improved molecular-scale understanding of how sorbate speciation controls contaminant desorption from weathered sediments upon removal of caustic sources; and (iii) developed a mechanistic, predictive model of meso- to field-scale contaminant reactive transport under these conditions. In this final report, we provide detailed descriptions of our results from this three-year study, completed in 2012 following a one-year no cost extension.
Multidimensional real analysis I differentiation
Duistermaat, J J; van Braam Houckgeest, J P
2004-01-01
Part one of the authors' comprehensive and innovative work on multidimensional real analysis. This book is based on extensive teaching experience at Utrecht University and gives a thorough account of differential analysis in multidimensional Euclidean space. It is an ideal preparation for students who wish to go on to more advanced study. The notation is carefully organized and all proofs are clean, complete and rigorous. The authors have taken care to pay proper attention to all aspects of the theory. In many respects this book presents an original treatment of the subject and it contains man
Multidimensional First-Order Dominance Comparisons of Population Wellbeing
DEFF Research Database (Denmark)
Siersbæk, Nikolaj; Østerdal, Lars Peter Raahave; Arndt, Thomas Channing
2017-01-01
This chapter conveys the concept of first-order dominance (FOD) with particular focus on applications to multidimensional population welfare comparisons. It gives an account of the fundamental equivalent definitions of FOD both in the one-dimensional and multidimensional setting, illustrated...
Control of multidimensional systems on complex network
Bagnoli, Franco; Battistelli, Giorgio; Chisci, Luigi; Fanelli, Duccio
2017-01-01
Multidimensional systems coupled via complex networks are widespread in nature and thus frequently invoked for a large plethora of interesting applications. From ecology to physics, individual entities in mutual interactions are grouped in families, homogeneous in kind. These latter interact selectively, through a sequence of self-consistently regulated steps, whose deeply rooted architecture is stored in the assigned matrix of connections. The asymptotic equilibrium eventually attained by the system, and its associated stability, can be assessed by employing standard nonlinear dynamics tools. For many practical applications, it is however important to externally drive the system towards a desired equilibrium, which is resilient, hence stable, to external perturbations. To this end we here consider a system made up of N interacting populations which evolve according to general rate equations, bearing attributes of universality. One species is added to the pool of interacting families and used as a dynamical controller to induce novel stable equilibria. Use can be made of the root locus method to shape the needed control, in terms of intrinsic reactivity and adopted protocol of injection. The proposed method is tested on both synthetic and real data, thus enabling to demonstrate its robustness and versatility. PMID:28892493
Crişan, Liviu G.; Vulturar, Romana; Miclea, Mircea; Miu, Andrei C.
2016-01-01
Recent research indicates that subclinical social anxiety is associated with dysfunctions at multiple psychological and biological levels, in a manner that seems reminiscent of social anxiety disorder (SAD). This study aimed to describe multidimensional responses to laboratory-induced social stress in an analog sample selected for social anxiety symptoms. State anxiety, cognitive biases related to negative social evaluation, speech anxiety behaviors, and cortisol reactivity were assessed in t...
A multidimensional subdiffusion model: An arbitrage-free market
International Nuclear Information System (INIS)
Li Guo-Hua; Zhang Hong; Luo Mao-Kang
2012-01-01
To capture the subdiffusive characteristics of financial markets, the subordinated process, directed by the inverse α-stale subordinator S α (t) for 0 < α < 1, has been employed as the model of asset prices. In this article, we introduce a multidimensional subdiffusion model that has a bond and K correlated stocks. The stock price process is a multidimensional subdiffusion process directed by the inverse α-stable subordinator. This model describes the period of stagnation for each stock and the behavior of the dependency between multiple stocks. Moreover, we derive the multidimensional fractional backward Kolmogorov equation for the subordinated process using the Laplace transform technique. Finally, using a martingale approach, we prove that the multidimensional subdiffusion model is arbitrage-free, and also gives an arbitrage-free pricing rule for contingent claims associated with the martingale measure. (interdisciplinary physics and related areas of science and technology)
Nick, H.M.; Raoof, A.; Centler, F.; Thullner, M.; Regnier, P.
2013-01-01
The reactive mixing between seawater and terrestrial water in coastal aquifers influences the water quality of submarine groundwater discharge. While these waters come into contact at the seawater groundwater interface by density driven flow
International Nuclear Information System (INIS)
Kobayashi, K.
1979-03-01
TP1, a FORTRAN-IV program based on transport theory, has been developed to determine reactivity effects and kinetic parameters such as effective delayed neutron fractions and mean generation time by applying the usual perturbation formalism for one-dimensional geometry. Direct and adjoint angular dependent neutron fluxes are read from an interface file prepared by using the one-dimensional Ssub(n)-code DTK which provides options for slab, cylindrical and spherical geometry. Multigroup cross sections which are equivalent to those of the DTK-calculations are supplied in the SIGM-block which is also read from an interface file. This block which is usually produced by the code GRUCAL should contain the necessary delayed neutron data, which can be added to the original SIGMN-block by using the code SIGMUT. Two perturbation options are included in TP1: a) the usual first oder perturbation theory can be applied to determine probe reactivities, b) assuming that there are available direct fluxes for the unperturbed reactor system and adjoint fluxes for the perturbed system, the exact reactivity effect induced by the perturbation can be determined by an exact perturbation calculation. According to the input specifications, the output lists the reactivity contributions for each neutron reaction process in the desired detailed spatial and energy group resolution. (orig./RW) [de
Multi-dimensional Laplace transforms and applications
International Nuclear Information System (INIS)
Mughrabi, T.A.
1988-01-01
In this dissertation we establish new theorems for computing certain types of multidimensional Laplace transform pairs from known one-dimensional Laplace transforms. The theorems are applied to the most commonly used special functions and so we obtain many two and three dimensional Laplace transform pairs. As applications, some boundary value problems involving linear partial differential equations are solved by the use of multi-dimensional Laplace transformation. Also we establish some relations between the Laplace transformation and other integral transformation in two variables
Contributions to multidimensional quadrature formulas
International Nuclear Information System (INIS)
Guenther, C.
1976-11-01
The general objective of this paper is to construct multidimensional quadrature formulas similar to the Gaussian Quadrature Formulas in one dimension. The correspondence between these formulas and orthogonal and nonnegative polynomials is established. One part of the paper considers the construction of multidimensional quadrature formulas using only methods of algebraic geometry, on the other part it is tried to obtain results on quadrature formulas with real nodes and, if possible, with positive weights. The results include the existence of quadrature formulas, information on the number resp. on the maximum possible number of points in the formulas for given polynomial degree N and the construction of formulas. (orig.) [de
Supervised and Unsupervised Learning of Multidimensional Acoustic Categories
Goudbeek, Martijn; Swingley, Daniel; Smits, Roel
2009-01-01
Learning to recognize the contrasts of a language-specific phonemic repertoire can be viewed as forming categories in a multidimensional psychophysical space. Research on the learning of distributionally defined visual categories has shown that categories defined over 1 dimension are easy to learn and that learning multidimensional categories is…
International Nuclear Information System (INIS)
Wanner, Christoph; Eggenberger, Urs; Mäder, Urs
2012-01-01
A 2D horizontal reactive transport model of a chromate-contaminated site near Rivera, Switzerland, was developed using the computer code CrunchFlow to evaluate site remediation strategies. Transport processes were defined according to the results of an existing hydrological model, and the definition of geochemical (reactive) processes is based on the results of a detailed mineralogical and geochemical site characterization leading to a comprehensive conceptual site model. Kinetics of naturally occurring Cr(VI) reduction by Fe(II) and natural solid organic matter is quantified by fitting measured Cr isotope ratios to a modeled 1D section along the best constrained flow line. The simulation of Cr isotope fractionation was also incorporated into the 2D model. Simulation of the measured present day Cr(VI) plume and δ 53 Cr value distribution was used for the 2D model calibration and corresponds to a situation where only monitored natural attenuation (MNA) is occurring. Other 2D model runs simulate alternate excavation scenarios. The simulations show that with an excavation of the top 2–4 m the groundwater Cr(VI) plume can be minimized, and that a deeper excavation depth only diminishes the plume if all the contaminants can be removed. A combination of an excavation of the top 2–4 m and monitoring of the ongoing natural Cr(VI) reduction is suggested as the most ecological and economical remediation strategy, even though a remaining time period with ongoing subsoil Cr(VI) contamination in the order of 1 ka is predicted.
Domènech, Cristina; Galí, Salvador; Villanova-de-Benavent, Cristina; Soler, Josep M.; Proenza, Joaquín A.
2017-10-01
Oxide-type Ni-laterite deposits are characterized by a dominant limonite zone with goethite as the economically most important Ni ore mineral and a thin zone of hydrous Mg silicate-rich saprolite beneath the magnesium discontinuity. Fe, less soluble, is mainly retained forming goethite, while Ni is redeposited at greater depth in a Fe(III) and Ni-rich serpentine (serpentine II) or in goethite, where it adsorbs or substitutes for Fe in the mineral structure. Here, a 1D reactive transport model, using CrunchFlow, of Punta Gorda oxide-type Ni-laterite deposit (Moa Bay, Cuba) formation is presented. The model reproduces the formation of the different laterite horizons in the profile from an initial, partially serpentinized peridotite, in 106 years, validating the conceptual model of the formation of this kind of deposits in which a narrow saprolite horizon rich in Ni-bearing serpentine is formed above peridotite parent rock and a thick limonite horizon is formed over saprolite. Results also confirm that sorption of Ni onto goethite can explain the weight percent of Ni found in the Moa goethite. Sensitivity analyses accounting for the effect of key parameters (composition, dissolution rate, carbonate concentration, quartz precipitation) on the model results are also presented. It is found that aqueous carbonate concentration and quartz precipitation significantly affects the laterization process rate, while the effect of the composition of secondary serpentine or of mineral dissolution rates is minor. The results of this reactive transport modeling have proven useful to validate the conceptual models derived from field observations.
A practical nonlocal model for heat transport in magnetized laser plasmas
International Nuclear Information System (INIS)
Nicolaie, Ph.D.; Feugeas, J.-L.A.; Schurtz, G.P.
2006-01-01
A model of nonlocal transport for multidimensional radiation magnetohydrodynamics codes is presented. In laser produced plasmas, it is now believed that the heat transport can be strongly modified by the nonlocal nature of the electron conduction. Other mechanisms, such as self-generated magnetic fields, may also affect the heat transport. The model described in this work, based on simplified Fokker-Planck equations aims at extending the model of G. Schurtz, Ph. Nicolaie, and M. Busquet [Phys. Plasmas 7, 4238 (2000)] to magnetized plasmas. A complete system of nonlocal equations is derived from kinetic equations with self-consistent electric and magnetic fields. These equations are analyzed and simplified in order to be implemented into large laser fusion codes and coupled to other relevant physics. The model is applied to two laser configurations that demonstrate the main features of the model and point out the nonlocal Righi-Leduc effect in a multidimensional case
Finite-difference methods in multi-dimensional two-phase flow
International Nuclear Information System (INIS)
Travis, J.R.
1977-01-01
In the summer of 1974, the Theoretical Division of the Los Alamos Scientific Laboratory began several research programs in the area of reactor safety for the United States Nuclear Regulatory Commission. Research efforts were started in the Liquid Metal Fast Breeder (LMFBR) and the Light Water Reactor (LWR) safety programs. The character of the Theoretical Division was to develop computer codes for the safety analysis of these reactor systems. The question of whether or not, during the course of a hypothetical accident sequence in an LMFBR, the core will subside to a coolable configuration without secondary critical bursts has never been resolved. To aid the study of this question, a computer program called SIMMER (S/sub N/, Implicit, Multified, Multicomponent, Eulerian Recriticality) was to be developed to predict the dynamics of extreme hypothetical accident sequences during which extended core motion is expected. This time-dependent computer code called for combining an advanced multidimensional, multiphase fluid dynamic methodology with multidimensional neutron transport theory and improved equation-of-state technology. In the LWR program, the research emphasis was to push forward in two areas: (1) the development of advanced multiphase fluid dynamic methods and computer programs for performing basic research and analyzing areas in thermal hydraulics important to the safety of water reactors, and (2) the development of an advanced ''best estimate'' systems code called TRAC (Transient Reactor Analysis Code) for analyzing loss-of-coolant accidents and anticipated-transients-without-scram in light water reactors
Energy Technology Data Exchange (ETDEWEB)
Jon Chorover, University of Arizona; Peggy O' ÃÂÃÂDay, University of California, Merced; Karl Mueller, Penn State University; Wooyong Um, Pacific Northwest National Laboratory; Carl Steefel, Lawrence Berkeley National Laboratory
2012-10-01
Hanford sediments impacted by hyperalkaline high level radioactive waste have undergone incongruent silicate mineral weathering concurrent with contaminant uptake. In this project, we studied the impact of background pore water (BPW) on strontium, cesium and iodine desorption and transport in Hanford sediments that were experimentally weathered by contact with simulated hyperalkaline tank waste leachate (STWL) solutions. Using those lab-weathered Hanford sediments (HS) and model precipitates formed during nucleation from homogeneous STWL solutions (HN), we (i) provided detailed characterization of reaction products over a matrix of field-relevant gradients in contaminant concentration, PCO2, and reaction time; (ii) improved molecular-scale understanding of how sorbate speciation controls contaminant desorption from weathered sediments upon removal of caustic sources; and (iii) developed a mechanistic, predictive model of meso- to field-scale contaminant reactive transport under these conditions.
Uncertainty in reactive transport geochemical modelling
International Nuclear Information System (INIS)
Oedegaard-Jensen, A.; Ekberg, C.
2005-01-01
Full text of publication follows: Geochemical modelling is one way of predicting the transport of i.e. radionuclides in a rock formation. In a rock formation there will be fractures in which water and dissolved species can be transported. The composition of the water and the rock can either increase or decrease the mobility of the transported entities. When doing simulations on the mobility or transport of different species one has to know the exact water composition, the exact flow rates in the fracture and in the surrounding rock, the porosity and which minerals the rock is composed of. The problem with simulations on rocks is that the rock itself it not uniform i.e. larger fractures in some areas and smaller in other areas which can give different water flows. The rock composition can be different in different areas. In additions to this variance in the rock there are also problems with measuring the physical parameters used in a simulation. All measurements will perturb the rock and this perturbation will results in more or less correct values of the interesting parameters. The analytical methods used are also encumbered with uncertainties which in this case are added to the uncertainty from the perturbation of the analysed parameters. When doing simulation the effect of the uncertainties must be taken into account. As the computers are getting faster and faster the complexity of simulated systems are increased which also increase the uncertainty in the results from the simulations. In this paper we will show how the uncertainty in the different parameters will effect the solubility and mobility of different species. Small uncertainties in the input parameters can result in large uncertainties in the end. (authors)
Interaction of UV laser pulses with reactive dusty plasmas
van de Wetering, F.M.J.H.; Beckers, J.; Nijdam, S.; Oosterbeek, W.; Kovacevic, E.; Berndt, J.
2016-01-01
This contribution deals with the effects of UV photons on the synthesis and transport of nanoparticles in reactive complex plasmas (capacitively coupled RF discharge). First measurements showed that the irradiation of a reactive acetylene-argon plasma with high-energy, ns UV laser pulses (355 nm, 75
Samper, J.; Font, I.; Yang, C.; Montenegro, L.
2004-12-01
The reference concept for a HLW repository in clay in Spain includes a 75 cm thick bentonite buffer which surrounds canisters. A concrete sustainment 20 cm thick is foreseen between the bentonite buffer and the clay formation. The long term geochemical evolution of the near field is affected by a high-pH hyperalkaline plume induced by concrete. Numerical models of multicomponent reactive transport have been developped in order to quantify the evolution of the system over 1 Ma. Water flow is negligible once the bentonite buffer is saturated after about 20 years. Therefore, solute transport occurs mainly by diffusion. Models account for aqueous complexation, acid-base and redox reactions, cation exchange, and mineral dissolution precipitation in the bentonite, the concrete and the clay formation. Numerical results obtained witth CORE2D indicate that the high-pH plume causes significant changes in porewater chemistry both in the bentonite buffer and the clay formation. Porosity changes caused by mineral dissolution/precipitation are extremely important. Therefore, coupled modes of diffusion and reactive transport accounting for changes in porosity caused by mineral precipitation are required in order to obtain realistic predictions.
Improving personality facet scores with multidimensional computer adaptive testing
DEFF Research Database (Denmark)
Makransky, Guido; Mortensen, Erik Lykke; Glas, Cees A W
2013-01-01
personality tests contain many highly correlated facets. This article investigates the possibility of increasing the precision of the NEO PI-R facet scores by scoring items with multidimensional item response theory and by efficiently administering and scoring items with multidimensional computer adaptive...
Directory of Open Access Journals (Sweden)
A. Agah
2012-12-01
Full Text Available Risk-based assessment methods are commonly used at the contaminated sites by hydrocarbon pollutants. This paper presents the results of a two-dimensional finite volume model of reactive transport of biodegradable BTEX which have been developed for the saturated zone of an unconfined aquifer in the Pump station area of Tehran oil refinery, Iran. The model governing equations were numerically solved by modification of a general commercial software called PHOENICS. To reduce costs in general, many input parameters of a model are often approximated based on the used values in the contaminated sites with same conditions. It was not fully recognised the effect of errors in these inputs on modelling outputs. Thus, a sensitivity analysis was carried out to determine the influence of parameters variability on the results of model. For this analysis, the sensitivity of the model to changes in the dispersivity, distribution coefficient, parameters of Monod, Michaelis-Menten, first- and zero- order kinetics modes on the BTEX contaminant plume were examined by performing several simulations. It was found that the model is sensitive to changes in dispersivity and parameters of Michaelis-Menten, first- and zero- order kinetics model. On the other hand, the predictions for plumes assuming Monod kinetics are similar, even if different values for parameterization are chosen. The reason for this insensibility is that degradation is not limited by microbial kinetics in the simulation, but by dispersive mixing. Quantifying the effect of changes in model input parameters on the modelling results is essential when it is desired to recognise which model parameters are more vital on the fate and transport of reactive pollutants. Furthermore, this process can provide an insight into understanding pollutant transportation mechanisms.
Multi-Dimensional Aggregation for Temporal Data
DEFF Research Database (Denmark)
Böhlen, M. H.; Gamper, J.; Jensen, Christian Søndergaard
2006-01-01
Business Intelligence solutions, encompassing technologies such as multi-dimensional data modeling and aggregate query processing, are being applied increasingly to non-traditional data. This paper extends multi-dimensional aggregation to apply to data with associated interval values that capture...... that the data holds for each point in the interval, as well as the case where the data holds only for the entire interval, but must be adjusted to apply to sub-intervals. The paper reports on an implementation of the new operator and on an empirical study that indicates that the operator scales to large data...
Executive Information Systems' Multidimensional Models
Directory of Open Access Journals (Sweden)
2007-01-01
Full Text Available Executive Information Systems are design to improve the quality of strategic level of management in organization through a new type of technology and several techniques for extracting, transforming, processing, integrating and presenting data in such a way that the organizational knowledge filters can easily associate with this data and turn it into information for the organization. These technologies are known as Business Intelligence Tools. But in order to build analytic reports for Executive Information Systems (EIS in an organization we need to design a multidimensional model based on the business model from the organization. This paper presents some multidimensional models that can be used in EIS development and propose a new model that is suitable for strategic business requests.
A practical nonlocal model for heat transport in magnetized laser plasmas
Nicolaï, Ph. D.; Feugeas, J.-L. A.; Schurtz, G. P.
2006-03-01
A model of nonlocal transport for multidimensional radiation magnetohydrodynamics codes is presented. In laser produced plasmas, it is now believed that the heat transport can be strongly modified by the nonlocal nature of the electron conduction. Other mechanisms, such as self-generated magnetic fields, may also affect the heat transport. The model described in this work, based on simplified Fokker-Planck equations aims at extending the model of G. Schurtz, Ph. Nicolaï, and M. Busquet [Phys. Plasmas 7, 4238 (2000)] to magnetized plasmas. A complete system of nonlocal equations is derived from kinetic equations with self-consistent electric and magnetic fields. These equations are analyzed and simplified in order to be implemented into large laser fusion codes and coupled to other relevant physics. The model is applied to two laser configurations that demonstrate the main features of the model and point out the nonlocal Righi-Leduc effect in a multidimensional case.
The Tunneling Method for Global Optimization in Multidimensional Scaling.
Groenen, Patrick J. F.; Heiser, Willem J.
1996-01-01
A tunneling method for global minimization in multidimensional scaling is introduced and adjusted for multidimensional scaling with general Minkowski distances. The method alternates a local search step with a tunneling step in which a different configuration is sought with the same STRESS implementation. (SLD)
A study of multidimensional modeling approaches for data warehouse
Yusof, Sharmila Mat; Sidi, Fatimah; Ibrahim, Hamidah; Affendey, Lilly Suriani
2016-08-01
Data warehouse system is used to support the process of organizational decision making. Hence, the system must extract and integrate information from heterogeneous data sources in order to uncover relevant knowledge suitable for decision making process. However, the development of data warehouse is a difficult and complex process especially in its conceptual design (multidimensional modeling). Thus, there have been various approaches proposed to overcome the difficulty. This study surveys and compares the approaches of multidimensional modeling and highlights the issues, trend and solution proposed to date. The contribution is on the state of the art of the multidimensional modeling design.
Fatigue and multidimensional disease severity in chronic obstructive pulmonary disease
Directory of Open Access Journals (Sweden)
Inal-Ince Deniz
2010-06-01
Full Text Available Abstract Background and aims Fatigue is associated with longitudinal ratings of health in patients with chronic obstructive pulmonary disease (COPD. Although the degree of airflow obstruction is often used to grade disease severity in patients with COPD, multidimensional grading systems have recently been developed. The aim of this study was to investigate the relationship between perceived and actual fatigue level and multidimensional disease severity in patients with COPD. Materials and methods Twenty-two patients with COPD (aged 52-74 years took part in the study. Multidimensional disease severity was measured using the SAFE and BODE indices. Perceived fatigue was assessed using the Fatigue Severity Scale (FSS and the Fatigue Impact Scale (FIS. Peripheral muscle endurance was evaluated using the number of sit-ups, squats, and modified push-ups that each patient could do. Results Thirteen patients (59% had severe fatigue, and their St George's Respiratory Questionnaire scores were significantly higher (p Conclusions Peripheral muscle endurance and fatigue perception in patients with COPD was related to multidimensional disease severity measured with both the SAFE and BODE indices. Improvements in perceived and actual fatigue levels may positively affect multidimensional disease severity and health status in COPD patients. Further research is needed to investigate the effects of fatigue perception and exercise training on patients with different stages of multidimensional COPD severity.
Multidimensional nonlinear descriptive analysis
Nishisato, Shizuhiko
2006-01-01
Quantification of categorical, or non-numerical, data is a problem that scientists face across a wide range of disciplines. Exploring data analysis in various areas of research, such as the social sciences and biology, Multidimensional Nonlinear Descriptive Analysis presents methods for analyzing categorical data that are not necessarily sampled randomly from a normal population and often involve nonlinear relations. This reference not only provides an overview of multidimensional nonlinear descriptive analysis (MUNDA) of discrete data, it also offers new results in a variety of fields. The first part of the book covers conceptual and technical preliminaries needed to understand the data analysis in subsequent chapters. The next two parts contain applications of MUNDA to diverse data types, with each chapter devoted to one type of categorical data, a brief historical comment, and basic skills peculiar to the data types. The final part examines several problems and then concludes with suggestions for futu...
Portable digital reactivity meter for power reactors
Energy Technology Data Exchange (ETDEWEB)
Steffen, G [Nuklear-Ingenieur Service G.m.b.H., Hanau (Germany, F.R.)
1977-07-01
A digital reactivity meter has been developed, which can be used for all kinds of kinetic reactivity measurements in PWR's and BWR's. The input signals may be supplied by standard neutron detectors of the reactor. The hardware configuration consists of a minicomputer with ADC and DAC, a 'Silent' terminal and a high speed paper tape reader/punch. It is easily transportable. The reactivity meter solves the inverse kinetics equations for 6 delayed neutron groups, simultaneously for up to 8 logarithmic or linear neutron flux signals. It has been successfully tested at Biblis A PWR and the KRB BWR.
International Nuclear Information System (INIS)
Churakov, S.V.
2005-01-01
Pyrophyllite, Al 2 [Si 4 O 10 ](OH) 2 , is the simplest structural prototype for 2:1 dioctahedral phyllosilicate. Because the net electric charge in pyrophyllite is zero, it is the best candidate for investigating the non electrostatic contribution to sorption and transport phenomena in clays. Using ab-initio simulations, we have investigated the reactivity and structure of the water-solid interface on the basal plane and edge sites of pyrophyllite. The calculations predict slightly hydrophobic behaviour of the basal plane. For the high water coverage (100), (110) and (-110), lateral facets have a lower energy than for the (010), (130) and (-130) surfaces. Analysis of the surface reactivity reveals that the =Al-OH groups are most easily protonated on the (010), (130) and (-130) facets. The =Al-O-Si= sites will be protonated on the (100), (130), (110), (-110) and (-130) surfaces. The =Al-OH 2 complexes are more easily de-protonated than the =Si-OH and =Al-OH sites. A spontaneous, reversible exchange of the protons between the solution and the edge sites has been observed in ab-initio molecular dynamics simulations at 300 K. Such near-surface proton diffusion may result in a significant contribution to the diffusion coefficients measured in neutron scattering experiments. (author)
Multidimensional Physical Self-Concept of Athletes with Physical Disabilities
Shapiro, Deborah R.; Martin, Jeffrey J.
2010-01-01
The purposes of this investigation were first to predict reported PA (physical activity) behavior and self-esteem using a multidimensional physical self-concept model and second to describe perceptions of multidimensional physical self-concept (e.g., strength, endurance, sport competence) among athletes with physical disabilities. Athletes (N =…
Development of Multidimensional Gap Conductance model using Virtual Link Gap Element
Energy Technology Data Exchange (ETDEWEB)
Kim, Hyo Chan; Yang, Yong Sik; Kim, Dae Ho; Bang, Je Geon; Kim, Sun Ki; Koo, Yang Hyun [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2013-10-15
The gap conductance that determines temperature gradient between pellet and cladding can be quite sensitive to gap thickness. For instance, once the gap size increases up to several micrometers in certain region, difference of pellet surface temperatures increases up to 100 Kelvin. Therefore, iterative thermo-mechanical coupled analysis is required to solve temperature distribution throughout pellet and cladding. Recently, multidimensional fuel performance codes have been being developed in the advanced countries to evaluate thermal behavior of fuel for off normal conditions and DBA(design based accident) conditions using the Finite Element Method (FEM). FRAPCON-FRAPTRAN code system, which is well known as the verified and reliable code, incorporates 1D thermal module and multidimensional mechanical module. In this code, multidimensional gap conductance model is not applied. ALCYONE developed by CEA introduces equivalent heat convection coefficient that represents multidimensional gap conductance as a function of gap thickness. BISON, which is multidimensional fuel performance code developed by INL, owns multidimensional gap conductance model using projected thermal contact. In general, thermal contact algorithm is nonlinear calculation which is expensive approach numerically. The gap conductance model for multi-dimension is difficult issue in terms of convergence and nonlinearity because gap conductance is function of gap thickness which depends on mechanical analysis at each iteration step. In this paper, virtual link gap (VLG) element has been proposed to resolve convergence issue and nonlinear characteristic of multidimensional gap conductance. In terms of calculation accuracy and convergence efficiency, the proposed VLG model was evaluated. LWR fuel performance codes should incorporate thermo-mechanical loop to solve gap conductance problem, iteratively. However, gap conductance in multidimensional model is difficult issue owing to its nonlinearity and
Conservative Initial Mapping For Multidimensional Simulations of Stellar Explosions
International Nuclear Information System (INIS)
Chen, Ke-Jung; Heger, Alexander; Almgren, Ann
2012-01-01
Mapping one-dimensional stellar profiles onto multidimensional grids as initial conditions for hydrodynamics calculations can lead to numerical artifacts, one of the most severe of which is the violation of conservation laws for physical quantities such as energy and mass. Here we introduce a numerical scheme for mapping one-dimensional spherically-symmetric data onto multidimensional meshes so that these physical quantities are conserved. We validate our scheme by porting a realistic 1D Lagrangian stellar profile to the new multidimensional Eulerian hydro code CASTRO. Our results show that all important features in the profiles are reproduced on the new grid and that conservation laws are enforced at all resolutions after mapping.
DEFF Research Database (Denmark)
Chambon, Julie Claire Claudia; Damgaard, Ida; Jeannottat, Simon
. Degradation and transport processes of chlorinated ethenes are not well understood in such geological settings, therefore risk assessment and remediation at these sites are particularly challenging. In this work, a combined approach of chemical and isotope analysis on core samples, and reactive transport...... the source zone (between 6 and 12 mbs). Concentrations and stable isotope ratios of the mother compounds and their daughter products, as well as redox parameters, fatty acids and microbial data, were analyzed with discrete sub-sampling along the cores. More samples (each 5 mm) were collected around...... of dechlorination and degradation pathways (biotic reductive dechlorination or abiotic β-elimination with iron minerals) in three core profiles. The model includes diffusion in the matrix, sequential reductive dechlorination, abiotic degradation, isotope fractionation due to degradation and due to diffusion...
Phast4Windows: A 3D graphical user interface for the reactive-transport simulator PHAST
Charlton, Scott R.; Parkhurst, David L.
2013-01-01
Phast4Windows is a Windows® program for developing and running groundwater-flow and reactive-transport models with the PHAST simulator. This graphical user interface allows definition of grid-independent spatial distributions of model properties—the porous media properties, the initial head and chemistry conditions, boundary conditions, and locations of wells, rivers, drains, and accounting zones—and other parameters necessary for a simulation. Spatial data can be defined without reference to a grid by drawing, by point-by-point definitions, or by importing files, including ArcInfo® shape and raster files. All definitions can be inspected, edited, deleted, moved, copied, and switched from hidden to visible through the data tree of the interface. Model features are visualized in the main panel of the interface, so that it is possible to zoom, pan, and rotate features in three dimensions (3D). PHAST simulates single phase, constant density, saturated groundwater flow under confined or unconfined conditions. Reactions among multiple solutes include mineral equilibria, cation exchange, surface complexation, solid solutions, and general kinetic reactions. The interface can be used to develop and run simple or complex models, and is ideal for use in the classroom, for analysis of laboratory column experiments, and for development of field-scale simulations of geochemical processes and contaminant transport.
Energy Technology Data Exchange (ETDEWEB)
Salloum, Maher; Knio, Omar M. [Department of Mechanical Engineering, The Johns Hopkins University, Baltimore, MD 21218-2686 (United States)
2010-06-15
A transient multidimensional reduced model is constructed for the simulation of reaction fronts in Ni/Al multilayers. The formulation is based on the generalization of earlier methodologies developed for quasi-1D axial and normal propagation, specifically by adapting the reduced formalism for atomic mixing and heat release. This approach enables us to focus on resolving the thermal front structure, whose evolution is governed by thermal diffusion and heat release. A mixed integration scheme is used for this purpose, combining an extended-stability, Runge-Kutta-Chebychev (RKC) integration of the diffusion term with exact treatment of the chemical source term. Thus, a detailed description of atomic mixing within individual layers is avoided, which enables transient modeling of the reduced equations of motion in multiple dimensions. Two-dimensional simulations are first conducted of front propagation in composites combining two bilayer periods. Results are compared with the experimental measurements of Knepper et al., which reveal that the reaction velocity can depend significantly on layering frequency. The comparison indicates that, using a concentration-dependent conductivity model, the transient 2D computations can reasonably reproduce the experimental behavior. Additional tests are performed based on 3D computations of surface initiated reactions. Comparison of computed predictions with laser ignition measurements indicates that the computations provide reasonable estimates of ignition thresholds. A detailed discussion is finally provided of potential generalizations and associated hurdles. (author)
Balanced sensitivity functions for tuning multi-dimensional Bayesian network classifiers
Bolt, J.H.; van der Gaag, L.C.
Multi-dimensional Bayesian network classifiers are Bayesian networks of restricted topological structure, which are tailored to classifying data instances into multiple dimensions. Like more traditional classifiers, multi-dimensional classifiers are typically learned from data and may include
Reactive Transport Modeling of the Yucca Mountain Site, Nevada
International Nuclear Information System (INIS)
G. Bodvarsson
2004-01-01
The Yucca Mountain site has a dry climate and deep water table, with the repository located in the middle of an unsaturated zone approximately 600 m thick. Radionuclide transport processes from the repository to the water table are sensitive to the unsaturated zone flow field, as well as to sorption, matrix diffusion, radioactive decay, and colloid transport mechanisms. The unsaturated zone flow and transport models are calibrated against both physical and chemical data, including pneumatic pressure, liquid saturation, water potential, temperature, chloride, and calcite. The transport model predictions are further compared with testing specific to unsaturated zone transport: at Alcove 1 in the Exploratory Studies Facility (ESF), at Alcove 8 and Niche 3 of the ESF, and at the Busted Butte site. The models are applied to predict the breakthroughs at the water table for nonsorbing and sorbing radionuclides, with faults shown as the important paths for radionuclide transport. Daughter products of some important radionuclides, such as 239 Pu and 241 Am, have faster transport than the parents and must be considered in the unsaturated zone transport model. Colloid transport is significantly affected by colloid size, but only negligibly affected by lunetic declogging (reverse filtering) mechanisms. Unsaturated zone model uncertainties are discussed, including the sensitivity of breakthrough to the active fracture model parameter, as an example of uncertainties related to detailed flow characteristics and fracture-matrix interaction. It is expected that additional benefits from the unsaturated zone barrier for transport can be achieved by full implementation of the shadow zone concept immediately below the radionuclide release points in the waste emplacement drifts
A reactive transport model for mercury fate in contaminated soil--sensitivity analysis.
Leterme, Bertrand; Jacques, Diederik
2015-11-01
We present a sensitivity analysis of a reactive transport model of mercury (Hg) fate in contaminated soil systems. The one-dimensional model, presented in Leterme et al. (2014), couples water flow in variably saturated conditions with Hg physico-chemical reactions. The sensitivity of Hg leaching and volatilisation to parameter uncertainty is examined using the elementary effect method. A test case is built using a hypothetical 1-m depth sandy soil and a 50-year time series of daily precipitation and evapotranspiration. Hg anthropogenic contamination is simulated in the topsoil by separately considering three different sources: cinnabar, non-aqueous phase liquid and aqueous mercuric chloride. The model sensitivity to a set of 13 input parameters is assessed, using three different model outputs (volatilized Hg, leached Hg, Hg still present in the contaminated soil horizon). Results show that dissolved organic matter (DOM) concentration in soil solution and the binding constant to DOM thiol groups are critical parameters, as well as parameters related to Hg sorption to humic and fulvic acids in solid organic matter. Initial Hg concentration is also identified as a sensitive parameter. The sensitivity analysis also brings out non-monotonic model behaviour for certain parameters.
Ultrafast Carrier Relaxation in InN Nanowires Grown by Reactive Vapor Transport
Directory of Open Access Journals (Sweden)
Zervos Matthew
2008-01-01
Full Text Available Abstract We have studied femtosecond carrier dynamics in InN nanowires grown by reactive vapor transport. Transient differential absorption measurements have been employed to investigate the relaxation dynamics of photogenerated carriers near and above the optical absorption edge of InN NWs where an interplay of state filling, photoinduced absorption, and band-gap renormalization have been observed. The interface between states filled by free carriers intrinsic to the InN NWs and empty states has been determined to be at 1.35 eV using CW optical transmission measurements. Transient absorption measurements determined the absorption edge at higher energy due to the additional injected photogenerated carriers following femtosecond pulse excitation. The non-degenerate white light pump-probe measurements revealed that relaxation of the photogenerated carriers occurs on a single picosecond timescale which appears to be carrier density dependent. This fast relaxation is attributed to the capture of the photogenerated carriers by defect/surface related states. Furthermore, intensity dependent measurements revealed fast energy transfer from the hot photogenerated carriers to the lattice with the onset of increased temperature occurring at approximately 2 ps after pulse excitation.
Cluster Oriented Spatio Temporal Multidimensional Data Visualization of Earthquakes in Indonesia
Directory of Open Access Journals (Sweden)
Mohammad Nur Shodiq
2016-03-01
Full Text Available Spatio temporal data clustering is challenge task. The result of clustering data are utilized to investigate the seismic parameters. Seismic parameters are used to describe the characteristics of earthquake behavior. One of the effective technique to study multidimensional spatio temporal data is visualization. But, visualization of multidimensional data is complicated problem. Because, this analysis consists of observed data cluster and seismic parameters. In this paper, we propose a visualization system, called as IES (Indonesia Earthquake System, for cluster analysis, spatio temporal analysis, and visualize the multidimensional data of seismic parameters. We analyze the cluster analysis by using automatic clustering, that consists of get optimal number of cluster and Hierarchical K-means clustering. We explore the visual cluster and multidimensional data in low dimensional space visualization. We made experiment with observed data, that consists of seismic data around Indonesian archipelago during 2004 to 2014. Keywords: Clustering, visualization, multidimensional data, seismic parameters.
Multidimensional filter banks and wavelets research developments and applications
Levy, Bernard
1997-01-01
Multidimensional Filter Banks and Wavelets: Reserach Developments and Applications brings together in one place important contributions and up-to-date research results in this important area. Multidimensional Filter Banks and Wavelets: Research Developments and Applications serves as an excellent reference, providing insight into some of the most important research issues in the field.
ULTRA-SHARP nonoscillatory convection schemes for high-speed steady multidimensional flow
Leonard, B. P.; Mokhtari, Simin
1990-01-01
For convection-dominated flows, classical second-order methods are notoriously oscillatory and often unstable. For this reason, many computational fluid dynamicists have adopted various forms of (inherently stable) first-order upwinding over the past few decades. Although it is now well known that first-order convection schemes suffer from serious inaccuracies attributable to artificial viscosity or numerical diffusion under high convection conditions, these methods continue to enjoy widespread popularity for numerical heat transfer calculations, apparently due to a perceived lack of viable high accuracy alternatives. But alternatives are available. For example, nonoscillatory methods used in gasdynamics, including currently popular TVD schemes, can be easily adapted to multidimensional incompressible flow and convective transport. This, in itself, would be a major advance for numerical convective heat transfer, for example. But, as is shown, second-order TVD schemes form only a small, overly restrictive, subclass of a much more universal, and extremely simple, nonoscillatory flux-limiting strategy which can be applied to convection schemes of arbitrarily high order accuracy, while requiring only a simple tridiagonal ADI line-solver, as used in the majority of general purpose iterative codes for incompressible flow and numerical heat transfer. The new universal limiter and associated solution procedures form the so-called ULTRA-SHARP alternative for high resolution nonoscillatory multidimensional steady state high speed convective modelling.
On new physics searches with multidimensional differential shapes
Ferreira, Felipe; Fichet, Sylvain; Sanz, Veronica
2018-03-01
In the context of upcoming new physics searches at the LHC, we investigate the impact of multidimensional differential rates in typical LHC analyses. We discuss the properties of shape information, and argue that multidimensional rates bring limited information in the scope of a discovery, but can have a large impact on model discrimination. We also point out subtleties about systematic uncertainties cancellations and the Cauchy-Schwarz bound on interference terms.
Multidimensional human dynamics in mobile phone communications.
Quadri, Christian; Zignani, Matteo; Capra, Lorenzo; Gaito, Sabrina; Rossi, Gian Paolo
2014-01-01
In today's technology-assisted society, social interactions may be expressed through a variety of techno-communication channels, including online social networks, email and mobile phones (calls, text messages). Consequently, a clear grasp of human behavior through the diverse communication media is considered a key factor in understanding the formation of the today's information society. So far, all previous research on user communication behavior has focused on a sole communication activity. In this paper we move forward another step on this research path by performing a multidimensional study of human sociality as an expression of the use of mobile phones. The paper focuses on user temporal communication behavior in the interplay between the two complementary communication media, text messages and phone calls, that represent the bi-dimensional scenario of analysis. Our study provides a theoretical framework for analyzing multidimensional bursts as the most general burst category, that includes one-dimensional bursts as the simplest case, and offers empirical evidence of their nature by following the combined phone call/text message communication patterns of approximately one million people over three-month period. This quantitative approach enables the design of a generative model rooted in the three most significant features of the multidimensional burst - the number of dimensions, prevalence and interleaving degree - able to reproduce the main media usage attitude. The other findings of the paper include a novel multidimensional burst detection algorithm and an insight analysis of the human media selection process.
Multidimensional human dynamics in mobile phone communications.
Directory of Open Access Journals (Sweden)
Christian Quadri
Full Text Available In today's technology-assisted society, social interactions may be expressed through a variety of techno-communication channels, including online social networks, email and mobile phones (calls, text messages. Consequently, a clear grasp of human behavior through the diverse communication media is considered a key factor in understanding the formation of the today's information society. So far, all previous research on user communication behavior has focused on a sole communication activity. In this paper we move forward another step on this research path by performing a multidimensional study of human sociality as an expression of the use of mobile phones. The paper focuses on user temporal communication behavior in the interplay between the two complementary communication media, text messages and phone calls, that represent the bi-dimensional scenario of analysis. Our study provides a theoretical framework for analyzing multidimensional bursts as the most general burst category, that includes one-dimensional bursts as the simplest case, and offers empirical evidence of their nature by following the combined phone call/text message communication patterns of approximately one million people over three-month period. This quantitative approach enables the design of a generative model rooted in the three most significant features of the multidimensional burst - the number of dimensions, prevalence and interleaving degree - able to reproduce the main media usage attitude. The other findings of the paper include a novel multidimensional burst detection algorithm and an insight analysis of the human media selection process.
International Nuclear Information System (INIS)
Zhong, Jian; Cai, Xiao-Ming; Bloss, William James
2015-01-01
This study investigates the dispersion and transport of reactive pollutants in a deep urban street canyon with an aspect ratio of 2 under neutral meteorological conditions using large-eddy simulation. The spatial variation of pollutants is significant due to the existence of two unsteady vortices. The deviation of species abundance from chemical equilibrium for the upper vortex is greater than that for the lower vortex. The interplay of dynamics and chemistry is investigated using two metrics: the photostationary state defect, and the inferred ozone production rate. The latter is found to be negative at all locations within the canyon, pointing to a systematic negative offset to ozone production rates inferred by analogous approaches in environments with incomplete mixing of emissions. This study demonstrates an approach to quantify parameters for a simplified two-box model, which could support traffic management and urban planning strategies and personal exposure assessment. - Highlights: • Large-eddy simulation reproduces two unsteady vortices seen in a lab experiment. • Reactive pollutants in an urban street canyon exhibit significant spatial variation. • O 3 production rate inferred by the NO x -O 3 -steady-state-defect approach is discussed. • Ground level sourced pollutants are largely trapped within the lower vortex. • A method of quantifying parameters of a two-box model is developed. - Reactive pollutants in a deep street canyon exhibit significant spatial variation driven by two unsteady vortices. A method of quantifying parameters of a two-box model is developed
Modeling the fate transport of cesium in crushed granite
International Nuclear Information System (INIS)
Lee, C.B.; Kuo, Y.M.; Hsu, C.N.; Li, M.H.; Cheng, H.P.; Teng, S.P.
2005-01-01
Full text of publication follows: In order to assess the safety of a underground radwaste repository, reactive transport models suitable for evaluating the fate and transport of radionuclides need to be established based on experimental observation and analysis. The goal of this study is to construct adequate models simulating the reactive transport of cesium (Cs) in crushed granite through a systematic analysis, where synthetic groundwater (SGW) and synthetic seawater (SSW) were employed as the liquid phase. To build such models, this study applied N 2 -BET, x-ray diffraction (XRD), polar-microscopy/ auto-radiography, and solid-phase digestion for the analysis of granite, kinetic batch tests for the characterization of sorption/desorption of Cs, and multi-stage advection-dispersion column tests for the determination of major transport processes and the calibration/validation of hypothesized reactive transport models. Based on the results of solid phase analysis and batch tests, a two-site Langmuir kinetic model has been determined capable of appropriately describing Cs sorption/desorption under test conditions. From the results of non-reactive HTO column tests, a mobile/immobile transport model was proposed to capture the major transport processes in our column system. However, the combination of the two-site Langmuir model and the mobile/immobile transport model failed to provide numerical breakthrough curves matching the Cs experimental breakthroughs. It implied that our model needs to be further refined. To achieve this, the setup of our column test needs to be modified first to reduce the volume of column connecting space, so that the effect of extra diffusion/dispersion on breakthroughs would be minimized and major transport characteristics can be clearly revealed. Moreover, more investigations on the reaction mechanisms and transport processes of the reactive transport system must be conducted. (authors)
Sung, R.; Li, M.
2013-12-01
assumed throughout the simulation domain. Comparisons among simulated results with different mesh systems of nested meshes and non-nested meshes and considerations of multiphase reactive transport and physical transport were demonstrated in this study. Preliminary results of injection CO2 for 50 years are: (1) about 7 wt.% of injected CO2 was trapped as carbonate minerals mainly as ankerite; (2) porosities were decreased by 0.014 % and increased by 0.102 % at the injection point and beneath the cap rock, respectively, and were subsequently decreased with time due to minerals precipitation mostly as illite and ankerite; (3) differences of simulated aquifer responses between reactive transport and physical transport were insignificant; and (4) projected CO2 plumes with the nested meshes was smaller than those by the non-nested meshes after cease of CO2 injection. Keywords: CO2-Saline-Mineral Interaction, Reactive Geochemical Transport, TOUGHREACT, Mineral Trapping Assessment, Changhua Costal Industrial Park Site, Taiwan Reference: Marini, L., 2006, Geological Sequestration of Carbon Dioxide, Volume 11: Thermodynamics, Kinetics, and Reaction Path Modeling, Elsevier Science, pp.470. Xu, T., J. A. Apps and K. Pruess, 2004, Numerical simulation of CO2 disposal by mineral trapping in deep aquifers, Applied Geochemistry, Vol. 19:917-936.
Image matrix processor for fast multi-dimensional computations
Roberson, George P.; Skeate, Michael F.
1996-01-01
An apparatus for multi-dimensional computation which comprises a computation engine, including a plurality of processing modules. The processing modules are configured in parallel and compute respective contributions to a computed multi-dimensional image of respective two dimensional data sets. A high-speed, parallel access storage system is provided which stores the multi-dimensional data sets, and a switching circuit routes the data among the processing modules in the computation engine and the storage system. A data acquisition port receives the two dimensional data sets representing projections through an image, for reconstruction algorithms such as encountered in computerized tomography. The processing modules include a programmable local host, by which they may be configured to execute a plurality of different types of multi-dimensional algorithms. The processing modules thus include an image manipulation processor, which includes a source cache, a target cache, a coefficient table, and control software for executing image transformation routines using data in the source cache and the coefficient table and loading resulting data in the target cache. The local host processor operates to load the source cache with a two dimensional data set, loads the coefficient table, and transfers resulting data out of the target cache to the storage system, or to another destination.
Fracture Characterization in Reactive Fluid-Fractured Rock Systems Using Tracer Transport Data
Mukhopadhyay, S.
2014-12-01
Fractures, whether natural or engineered, exert significant controls over resource exploitation from contemporary energy sources including enhanced geothermal systems and unconventional oil and gas reserves. Consequently, fracture characterization, i.e., estimating the permeability, connectivity, and spacing of the fractures is of critical importance for determining the viability of any energy recovery program. While some progress has recently been made towards estimating these critical fracture parameters, significant uncertainties still remain. A review of tracer technology, which has a long history in fracture characterization, reveals that uncertainties exist in the estimated parameters not only because of paucity of scale-specific data but also because of knowledge gaps in the interpretation methods, particularly in interpretation of tracer data in reactive fluid-rock systems. We have recently demonstrated that the transient tracer evolution signatures in reactive fluid-rock systems are significantly different from those in non-reactive systems (Mukhopadhyay et al., 2013, 2014). For example, the tracer breakthrough curves in reactive fluid-fractured rock systems are expected to exhibit a long pseudo-state condition, during which tracer concentration does not change by any appreciable amount with passage of time. Such a pseudo-steady state condition is not observed in a non-reactive system. In this paper, we show that the presence of this pseudo-steady state condition in tracer breakthrough patterns in reactive fluid-rock systems can have important connotations for fracture characterization. We show that the time of onset of the pseudo-steady state condition and the value of tracer concentration in the pseudo-state condition can be used to reliably estimate fracture spacing and fracture-matrix interface areas.
Two multi-dimensional uncertainty relations
International Nuclear Information System (INIS)
Skala, L; Kapsa, V
2008-01-01
Two multi-dimensional uncertainty relations, one related to the probability density and the other one related to the probability density current, are derived and discussed. Both relations are stronger than the usual uncertainty relations for the coordinates and momentum
International Nuclear Information System (INIS)
Valle G, E. del; Mugica R, C.A.
2005-01-01
In our country, in last congresses, Gomez et al carried out reactivity calculations based on the solution of the diffusion equation for an energy group using nodal methods in one dimension and the TPL approach (Lineal Perturbation Theory). Later on, Mugica extended the application to the case of multigroup so much so much in one as in two dimensions (X Y geometry) with excellent results. Presently work is carried out similar calculations but this time based on the solution of the neutron transport equation in X Y geometry using nodal methods and again the TPL approximation. The idea is to provide a calculation method that allows to obtain in quick form the reactivity solving the direct problem as well as the enclosed problem of the not perturbed problem. A test problem for the one that results are provided for the effective multiplication factor is described and its are offered some conclusions. (Author)
Benefits of Multidimensional Measures of Child Well Being in China.
Gatenio Gabel, Shirley; Zhang, Yiwei
2017-11-06
In recent decades, measures of child well-being have evolved from single dimension to multidimensional measures. Multi-dimensional measures deepen and broaden our understanding of child well-being and inform us of areas of neglect. Child well-being in China today is measured through proxy measures of household need. This paper discusses the evolution of child well-being measures more generally, explores the benefits of positive indicators and multiple dimensions in formulating policy, and then reviews efforts to date by the Chinese government, researchers, and non-governmental and intergovernmental organizations to develop comprehensive multidimensional measures of child well-being in China. The domains and their potential interactions, as well as data sources and availability, are presented. The authors believe that child well-being in China would benefit from the development of a multidimensional index and that there is sufficient data to develop such an index.
Bailey, R. T.; Gates, T. K.
2011-12-01
The fate and transport of nitrogen (N) species in irrigated agricultural groundwater systems is governed by irrigation patterns, cultivation practices, aquifer-surface water exchanges, and chemical reactions such as oxidation-reduction, volatilization, and sorption, as well as the presence of dissolved oxygen (O2). We present results of applying the newly-developed numerical model RT3D-AG to a 50,400-ha regional study site within the Lower Arkansas River Valley in southeastern Colorado, where elevated concentrations of NO3 have been observed in both groundwater and surface water during the recent decade. Furthermore, NO3 has a strong influence on the fate and transport of other contaminants in the aquifer system such as selenium (Se) through inhibition of reduction of dissolved Se as well as oxidation of precipitate Se from outcropped and bedrock shale. RT3D-AG, developed by appending the multi-species reactive transport finite-difference model RT3D with modular packages that account for variably-saturated transport, the cycling of carbon (C) and N, and the fate and transport of O2 within the soil and aquifer system, simulates organic C and organic N decomposition and mineralization, oxidation-reduction reactions, and sorption. System sources/sinks consist of applied fertilizer and manure; crop uptake of ammonium (NH4) and NO3 during the growing season; mass of O2, NO3, and NH4 associated with irrigation water and canal seepage; mass of O2, NO3, and NH4 transferred to canals and the Arkansas River from the aquifer; and dead root mass and after-harvest stover mass incorporated into the soil organic matter at the end of the growing season. Chemical reactions are simulated using first-order Monod kinetics, wherein the rate of reaction is dependent on the concentration of the reactants as well as temperature and water content of the soil. Fertilizer and manure application timing and loading, mass of seasonal crop uptake, and end-of-season root mass and stover mass are
FR, Wahid Muhamad; Yoon, Dang-Hyok; Raju, Kati; Kim, Seyoung; Song, Kwang-sup; Yu, Ji Haeng
2018-01-01
To fabricate a multi-layered structure for maximizing oxygen production, oxygen transport membrane (OTM) ceramics need to be joined or sealed hermetically metal supports for interfacing with the peripheral components of the system. Therefore, in this study, Ag-10 wt% CuO was evaluated as an effective filler material for the reactive air brazing of dense Ce0.9Gd0.1O2-δ-La0.7Sr0.3MnO3±δ (GDC-LSM) OTM ceramics. Thermal decomposition in air and wetting behavior of the braze filler was performed. Reactive air brazing was performed at 1050 °C for 30 min in air to join GDC-LSM with four different commercially available high temperature-resistant metal alloys, such as Crofer 22 APU, Inconel 600, Fecralloy, and AISI 310S. The microstructure and elemental distribution of the ceramic-ceramic and ceramic-metal interfaces were examined from polished cross-sections. The mechanical shear strength at room temperature for the as-brazed and isothermally aged (800 °C for 24 h) joints of all the samples was compared. The results showed that the strength of the ceramic-ceramic joints was decreased marginally by aging; however, in the case of metal-ceramic joints, different decreases in strengths were observed according to the metal alloy used, which was explained based on the formation of different oxide layers at the interfaces.
International Nuclear Information System (INIS)
Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten
2008-01-01
Coupled modeling of subsurface multiphase fluid and heat flow, solute transport, and chemical reactions can be applied to many geologic systems and environmental problems, including geothermal systems, diagenetic and weathering processes, subsurface waste disposal, acid mine drainage remediation, contaminant transport, and groundwater quality. TOUGHREACT has been developed as a comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator to investigate these and other problems. A number of subsurface thermo-physical-chemical processes are considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. TOUGHREACT can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The code can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can take place subject to either local equilibrium or kinetic controls, with coupling to changes in porosity and permeability and capillary pressure in unsaturated systems. Chemical components can also be treated by linear adsorption and radioactive decay. The first version of the non-isothermal reactive geochemical transport code TOUGHREACT was developed (Xu and Pruess, 1998) by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). TOUGHREACT was further enhanced with the addition of (1) treatment of mineral-water-gas reactive-transport under boiling conditions, (2) an improved HKF activity model for aqueous species, (3) gas species diffusion coefficients calculated as a function of pressure, temperature, and molecular properties, (4) mineral reactive surface area formulations for fractured
Fast long-range connections in transportation networks
International Nuclear Information System (INIS)
Palhares Viana, Matheus; Fontoura Costa, Luciano da
2011-01-01
Multidimensional scaling is applied in order to visualize an analogue of the small-world effect implied by edges having different displacement velocities in transportation networks. Our findings are illustrated for two real-world systems, namely the London urban network (streets and underground) and the US highway network enhanced by some of the main US airlines routes. We also show that the travel time in these two networks is drastically changed by attacks targeting the edges with large displacement velocities. - Highlights: → Multidimensional scaling used to visualize the effects of fast long-range connections. → Fast long-range connections are important to decrease the average travel time. → The average travel time diverges quickly when the network is under target attacks.
Visual modeling in an analysis of multidimensional data
Zakharova, A. A.; Vekhter, E. V.; Shklyar, A. V.; Pak, A. J.
2018-01-01
The article proposes an approach to solve visualization problems and the subsequent analysis of multidimensional data. Requirements to the properties of visual models, which were created to solve analysis problems, are described. As a perspective direction for the development of visual analysis tools for multidimensional and voluminous data, there was suggested an active use of factors of subjective perception and dynamic visualization. Practical results of solving the problem of multidimensional data analysis are shown using the example of a visual model of empirical data on the current state of studying processes of obtaining silicon carbide by an electric arc method. There are several results of solving this problem. At first, an idea of possibilities of determining the strategy for the development of the domain, secondly, the reliability of the published data on this subject, and changes in the areas of attention of researchers over time.
Multidimensional Scaling Localization Algorithm in Wireless Sensor Networks
Directory of Open Access Journals (Sweden)
Zhang Dongyang
2014-02-01
Full Text Available Due to the localization algorithm in large-scale wireless sensor network exists shortcomings both in positioning accuracy and time complexity compared to traditional localization algorithm, this paper presents a fast multidimensional scaling location algorithm. By positioning algorithm for fast multidimensional scaling, fast mapping initialization, fast mapping and coordinate transform can get schematic coordinates of node, coordinates Initialize of MDS algorithm, an accurate estimate of the node coordinates and using the PRORUSTES to analysis alignment of the coordinate and final position coordinates of nodes etc. There are four steps, and the thesis gives specific implementation steps of the algorithm. Finally, compared with stochastic algorithms and classical MDS algorithm experiment, the thesis takes application of specific examples. Experimental results show that: the proposed localization algorithm has fast multidimensional scaling positioning accuracy in ensuring certain circumstances, but also greatly improves the speed of operation.
International Nuclear Information System (INIS)
Zheng, L.; Samper, J.
2005-01-01
Full text of publication follows: Double porosity, double permeability and dual continuum models (DCM) are widely used for modeling preferential water flow and mass transport in unsaturated and fractured media. Here we present a DCM of fully coupled non-isothermal multiphase flow and reactive transport model for the FEBEX compacted bentonite, a material which exhibits a double porosity behavior.. FEBEX (Full-scale Engineered Barrier EXperiment) is a demonstration and research project dealing with the bentonite engineered barrier designed for sealing and containment of a high level radioactive waste repository. Our DCM considers inter-aggregate macro-pores, and intra-aggregate and interlayer micro-pores. Two types of DCMs are tested: the dual continuum connected matrix (DCCM) and the dual continuum dis connected matrix (DCDM). Liquid flow in macro-pores is described with a mass conservation equation accounting for Darcian flow, chemical and thermal osmosis. In DCCM, water flux in micropores is calculated with a modified Darcy's law by adding a chemical osmosis term. A simple mass balance equation is used for DCDM which contains a storage and a water exchange term for water in micropores. A mixed type of water exchange term is adopted which includes a second order term accounting for water transfer due to the difference in liquid pressure and a first order term accounting for the gradient in chemical osmosis pressure. Equations of mass conservation for liquid, gas and heat in macro-pores and liquid mass conservation in micropores are solved by using a Newton-Raphson method. Two transport equations with a coupling interaction term are used to describe solute transport in macro- and micro-pores. The coupling term contains a first order diffusion term and a convection term (solute exchange due to water exchange). Transport equations as well as chemical reactions in the two domains are solved by means of a sequential iteration method. All these feature have been
Development of multi-dimensional body image scale for malaysian female adolescents.
Chin, Yit Siew; Taib, Mohd Nasir Mohd; Shariff, Zalilah Mohd; Khor, Geok Lin
2008-01-01
The present study was conducted to develop a Multi-dimensional Body Image Scale for Malaysian female adolescents. Data were collected among 328 female adolescents from a secondary school in Kuantan district, state of Pahang, Malaysia by using a self-administered questionnaire and anthropometric measurements. The self-administered questionnaire comprised multiple measures of body image, Eating Attitude Test (EAT-26; Garner & Garfinkel, 1979) and Rosenberg Self-esteem Inventory (Rosenberg, 1965). The 152 items from selected multiple measures of body image were examined through factor analysis and for internal consistency. Correlations between Multi-dimensional Body Image Scale and body mass index (BMI), risk of eating disorders and self-esteem were assessed for construct validity. A seven factor model of a 62-item Multi-dimensional Body Image Scale for Malaysian female adolescents with construct validity and good internal consistency was developed. The scale encompasses 1) preoccupation with thinness and dieting behavior, 2) appearance and body satisfaction, 3) body importance, 4) muscle increasing behavior, 5) extreme dieting behavior, 6) appearance importance, and 7) perception of size and shape dimensions. Besides, a multidimensional body image composite score was proposed to screen negative body image risk in female adolescents. The result found body image was correlated with BMI, risk of eating disorders and self-esteem in female adolescents. In short, the present study supports a multi-dimensional concept for body image and provides a new insight into its multi-dimensionality in Malaysian female adolescents with preliminary validity and reliability of the scale. The Multi-dimensional Body Image Scale can be used to identify female adolescents who are potentially at risk of developing body image disturbance through future intervention programs.
Multidimensional Computerized Adaptive Testing for Indonesia Junior High School Biology
Kuo, Bor-Chen; Daud, Muslem; Yang, Chih-Wei
2015-01-01
This paper describes a curriculum-based multidimensional computerized adaptive test that was developed for Indonesia junior high school Biology. In adherence to the Indonesian curriculum of different Biology dimensions, 300 items was constructed, and then tested to 2238 students. A multidimensional random coefficients multinomial logit model was…
Analysis of Local Dependence and Multidimensionality in Graphical Loglinear Rasch Models
DEFF Research Database (Denmark)
Kreiner, Svend; Christensen, Karl Bang
2004-01-01
Local independence; Multidimensionality; Differential item functioning; Uniform local dependence and DIF; Graphical Rasch models; Loglinear Rasch model......Local independence; Multidimensionality; Differential item functioning; Uniform local dependence and DIF; Graphical Rasch models; Loglinear Rasch model...
International Nuclear Information System (INIS)
Schwantes, Jon M.; Batchelor, Bill
2000-01-01
Future missions for the Department of Defense include processing plutonium for vitrification and conversion to mixed oxide fuels for commercial use. Such processing could result in the production of Pu-containing waste and unplanned releases of Pu to the environment. Some releases related to plutonium processing have occurred in the past. However, scientists are currently not able to explain the observed behavior of plutonium in natural systems. For example, classical filtration theory predicts that plutonium transport within groundwater should be limited to a few tens of meters. Experimental observations, however, show that plutonium is present in groundwater at distances orders of magnitude farther away from its source than predicted. Before adequate disposal practices can be designed for plutonium, its behavior in these systems must be better understood. The overall goal of this project is to develop equilibrium, kinetic and reactive transport models that describe the behavior of Pu in aqueous systems and to apply these models to natural and engineered systems
Multidimensional Databases and Data Warehousing
DEFF Research Database (Denmark)
Jensen, Christian S.; Pedersen, Torben Bach; Thomsen, Christian
The present book's subject is multidimensional data models and data modeling concepts as they are applied in real data warehouses. The book aims to present the most important concepts within this subject in a precise and understandable manner. The book's coverage of fundamental concepts includes...
Background elimination methods for multidimensional coincidence γ-ray spectra
International Nuclear Information System (INIS)
Morhac, M.
1997-01-01
In the paper new methods to separate useful information from background in one, two, three and multidimensional spectra (histograms) measured in large multidetector γ-ray arrays are derived. The sensitive nonlinear peak clipping algorithm is the basis of the methods for estimation of the background in multidimensional spectra. The derived procedures are simple and therefore have a very low cost in terms of computing time. (orig.)
Reactive chemicals and process hazards
International Nuclear Information System (INIS)
Surianarayanan, M.
2016-01-01
Exothermic chemical reactions are often accompanied by significant heat release, and therefore, need a thorough investigation before they are taken to a plant scale. Sudden thermal energy releases from exothermic decompositions and runaway reactions have contributed to serious fire and explosions in several chemical process plants. Similarly, thermal runaway had also occurred in storage and transportation of reactive chemicals. The secondary events of thermal runaway reactions can be rupture of process vessel, toxic spills and release of explosive vapor clouds or combination of these also. The explosion hazards are governed by the system thermodynamics and kinetics of the thermal process. Theoretical prediction of limiting temperature is difficult due to process complexities. Further, the kinetic data obtained through classical techniques, at conditions far away from runaway situation, is often not valid for assessing the runaway behavior of exothermic processes. The main focus of this lecture is to discuss the causes and several contributing factors for thermal runaway and instability and present analyses of the methodologies of the new instrumental techniques for assessing the thermal hazards of reactive chemicals during processing, storage and transportation. (author)
Multidimensional Poverty and Health Status as a Predictor of Chronic Income Poverty.
Callander, Emily J; Schofield, Deborah J
2015-12-01
Longitudinal analysis of Wave 5 to 10 of the nationally representative Household, Income and Labour Dynamics in Australia dataset was undertaken to assess whether multidimensional poverty status can predict chronic income poverty. Of those who were multidimensionally poor (low income plus poor health or poor health and insufficient education attainment) in 2007, and those who were in income poverty only (no other forms of disadvantage) in 2007, a greater proportion of those in multidimensional poverty continued to be in income poverty for the subsequent 5 years through to 2012. People who were multidimensionally poor in 2007 had 2.17 times the odds of being in income poverty each year through to 2012 than those who were in income poverty only in 2005 (95% CI: 1.23-3.83). Multidimensional poverty measures are a useful tool for policymakers to identify target populations for policies aiming to improve equity and reduce chronic disadvantage. Copyright © 2014 John Wiley & Sons, Ltd.
International Nuclear Information System (INIS)
King, F.; Kolar, M.; Maak, P.
2008-01-01
Used fuel containers in a deep geological repository will be subject to various forms of corrosion. For containers made from oxygen-free, phosphorus-doped copper, the most likely corrosion processes are uniform corrosion, underdeposit corrosion, stress corrosion cracking, and microbiologically influenced corrosion. The environmental conditions within the repository are expected to evolve with time, changing from warm and oxidizing initially to cool and anoxic in the long-term. In response, the corrosion behaviour of the containers will also change with time as the repository environment evolve. A reactive-transport model has been developed to predict the time-dependent uniform corrosion behaviour of the container. The model is based on an experimentally-based reaction scheme that accounts for the various chemical, microbiological, electrochemical, precipitation/dissolution, adsorption/desorption, redox, and mass-transport processes at the container surface and in the compacted bentonite-based sealing materials within the repository. Coupling of the electrochemical interfacial reactions with processes in the bentonite buffer material allows the effect of the evolution of the repository environment on the corrosion behaviour of the container to be taken into account. The Copper Corrosion Model for Uniform Corrosion predicts the time-dependent corrosion rate and corrosion potential of the container, as well as the evolution of the near-field environment
Towards Optimal Multi-Dimensional Query Processing with BitmapIndices
Energy Technology Data Exchange (ETDEWEB)
Rotem, Doron; Stockinger, Kurt; Wu, Kesheng
2005-09-30
Bitmap indices have been widely used in scientific applications and commercial systems for processing complex, multi-dimensional queries where traditional tree-based indices would not work efficiently. This paper studies strategies for minimizing the access costs for processing multi-dimensional queries using bitmap indices with binning. Innovative features of our algorithm include (a) optimally placing the bin boundaries and (b) dynamically reordering the evaluation of the query terms. In addition, we derive several analytical results concerning optimal bin allocation for a probabilistic query model. Our experimental evaluation with real life data shows an average I/O cost improvement of at least a factor of 10 for multi-dimensional queries on datasets from two different applications. Our experiments also indicate that the speedup increases with the number of query dimensions.
Energy Technology Data Exchange (ETDEWEB)
Pan, L.C.; Lame, M.W.; Morin, D.; Wilson, D.W.; Segall, H.J. (Department of Veterinary Pharmacology, University of California, Davis (United States))
1991-09-01
Monocrotaline (MCT) is a pyrrolizidine alkaloid that causes pulmonary hypertension in rats by mechanisms which remain largely unknown. MCT is thought to be activated in the liver to a reactive intermediate that is transported to the lung where it causes endothelial injury. The authors previous pharmacokinetic work demonstrated significant sequestration of radioactivity in red blood cells (RBCs) of rats treated with (14C)MCT. To determine whether this RBC sequestration might be important in the transport of reactive MCT metabolites, they compared the effect of inclusion of RBCs in the perfusion buffer on the extent of covalent binding of (14C)MCT to rat lungs in tandem liver-lung preparations. The potential effect of RBCs in stabilizing reactive intermediates was evaluated by preperfusion of isolated liver preparations with (14C)MCT with and without RBCs, separation and washing of the RBC fraction, and subsequent (90 min later) perfusion of washed RBCs or buffer alone in isolated perfused lungs. Covalent binding to lung tissues was determined by exhaustive methanol/chloroform extractions of unbound label from homogenized lung tissue followed by scintillation counting of residual 14C. Covalent binding was expressed as picomole MCT molecular weight equivalents/mg protein. Comparison of the relative capability of these isolated organ preparations for conversion of MCT to polar metabolites was done by extraction and HPLC analysis of perfusate at the end of the experiment. Isolated livers converted 65-85% of MCT to polar metabolites compared with less than 5% conversion in the isolated lungs. Inclusion of RBCs in the buffer of tandem lung liver preparations perfused with 400 microM (14C)MCT increased the covalent binding to the lung from 97 {plus minus} 25 (buffer alone) to 182 {plus minus} 36 (buffer + RBC) pmol/mg protein.
International Nuclear Information System (INIS)
Pan, L.C.; Lame, M.W.; Morin, D.; Wilson, D.W.; Segall, H.J.
1991-01-01
Monocrotaline (MCT) is a pyrrolizidine alkaloid that causes pulmonary hypertension in rats by mechanisms which remain largely unknown. MCT is thought to be activated in the liver to a reactive intermediate that is transported to the lung where it causes endothelial injury. The authors previous pharmacokinetic work demonstrated significant sequestration of radioactivity in red blood cells (RBCs) of rats treated with [14C]MCT. To determine whether this RBC sequestration might be important in the transport of reactive MCT metabolites, they compared the effect of inclusion of RBCs in the perfusion buffer on the extent of covalent binding of [14C]MCT to rat lungs in tandem liver-lung preparations. The potential effect of RBCs in stabilizing reactive intermediates was evaluated by preperfusion of isolated liver preparations with [14C]MCT with and without RBCs, separation and washing of the RBC fraction, and subsequent (90 min later) perfusion of washed RBCs or buffer alone in isolated perfused lungs. Covalent binding to lung tissues was determined by exhaustive methanol/chloroform extractions of unbound label from homogenized lung tissue followed by scintillation counting of residual 14C. Covalent binding was expressed as picomole MCT molecular weight equivalents/mg protein. Comparison of the relative capability of these isolated organ preparations for conversion of MCT to polar metabolites was done by extraction and HPLC analysis of perfusate at the end of the experiment. Isolated livers converted 65-85% of MCT to polar metabolites compared with less than 5% conversion in the isolated lungs. Inclusion of RBCs in the buffer of tandem lung liver preparations perfused with 400 microM [14C]MCT increased the covalent binding to the lung from 97 ± 25 (buffer alone) to 182 ± 36 (buffer + RBC) pmol/mg protein
Bifactor Approach to Modeling Multidimensionality of Physical Self-Perception Profile
Chung, ChihMing; Liao, Xiaolan; Song, Hairong; Lee, Taehun
2016-01-01
The multi-dimensionality of Physical Self-Perception Profile (PSPP) has been acknowledged by the use of correlated-factor model and second-order model. In this study, the authors critically endorse the bifactor model, as a substitute to address the multi-dimensionality of PSPP. To cross-validate the models, analyses are conducted first in…
Multidimensional quantum entanglement with large-scale integrated optics
DEFF Research Database (Denmark)
Wang, Jianwei; Paesani, Stefano; Ding, Yunhong
2018-01-01
-dimensional entanglement. A programmable bipartite entangled system is realized with dimension up to 15 × 15 on a large-scale silicon-photonics quantum circuit. The device integrates more than 550 photonic components on a single chip, including 16 identical photon-pair sources. We verify the high precision, generality......The ability to control multidimensional quantum systems is key for the investigation of fundamental science and for the development of advanced quantum technologies. We demonstrate a multidimensional integrated quantum photonic platform able to generate, control and analyze high...
Simulation of a Multidimensional Input Quantum Perceptron
Yamamoto, Alexandre Y.; Sundqvist, Kyle M.; Li, Peng; Harris, H. Rusty
2018-06-01
In this work, we demonstrate the improved data separation capabilities of the Multidimensional Input Quantum Perceptron (MDIQP), a fundamental cell for the construction of more complex Quantum Artificial Neural Networks (QANNs). This is done by using input controlled alterations of ancillary qubits in combination with phase estimation and learning algorithms. The MDIQP is capable of processing quantum information and classifying multidimensional data that may not be linearly separable, extending the capabilities of the classical perceptron. With this powerful component, we get much closer to the achievement of a feedforward multilayer QANN, which would be able to represent and classify arbitrary sets of data (both quantum and classical).
On multidimensional item response theory -- a coordinate free approach
Antal, Tamás
2007-01-01
A coordinate system free definition of complex structure multidimensional item response theory (MIRT) for dichotomously scored items is presented. The point of view taken emphasizes the possibilities and subtleties of understanding MIRT as a multidimensional extension of the ``classical'' unidimensional item response theory models. The main theorem of the paper is that every monotonic MIRT model looks the same; they are all trivial extensions of univariate item response theory.
An Analysis of Multi-dimensional Gender Inequality in Pakistan
Abdul Hamid; Aisha M. Ahmed
2011-01-01
Women make almost half of the population of Pakistan. They also contribute significantly to economic and social growth. However, in developing countries like Pakistan, women usually suffer from multidimensional inequality of opportunities leading to multidimensional poverty. The dimensions of family, women identity, health, education and women access to economic resources and employment contribute significantly to the discrimination of women. The provision of more opportunities to women in th...
Mayer, K. U.; Benner, S. G.; Frind, E. O.; Thornton, S. F.; Lerner, D. N.
2001-12-01
Reactive solute transport modeling was utilized to evaluate the potential for natural attenuation of a contaminant plume containing phenolic compounds at a chemical producer in the West Midlands, UK. The reactive transport simulations consider microbially mediated biodegradation of the phenolic compounds (phenols, cresols, and xylenols) by multiple electron acceptors. Inorganic reactions including hydrolysis, aqueous complexation, dissolution of primary minerals, formation of secondary mineral phases, and ion exchange are considered. One-dimensional (1D) and three-dimensional (3D) simulations were conducted. Mass balance calculations indicate that biodegradation in the saturated zone has degraded approximately 1-5% of the organic contaminant plume over a time period of 47 years. Simulations indicate that denitrification is the most significant degradation process, accounting for approximately 50% of the organic contaminant removal, followed by sulfate reduction and fermentation reactions, each contributing 15-20%. Aerobic respiration accounts for less than 10% of the observed contaminant removal in the saturated zone. Although concentrations of Fe(III) and Mn(IV) mineral phases are high in the aquifer sediment, reductive dissolution is limited, producing only 5% of the observed mass loss. Mass balance calculations suggest that no more than 20-25% of the observed total inorganic carbon (TIC) was generated from biodegradation reactions in the saturated zone. Simulations indicate that aerobic biodegradation in the unsaturated zone, before the contaminant entered the aquifer, may have produced the majority of the TIC observed in the plume. Because long-term degradation is limited to processes within the saturated zone, use of observed TIC concentrations to predict the future natural attenuation may overestimate contaminant degradation by a factor of 4-5.
DEFF Research Database (Denmark)
Postma, Diederik Jan; Larsen, Flemming; Hue, N.T.M.
2007-01-01
The mobilization of arsenic (As) to the groundwater was studied in a shallow Holocene aquifer on the Red River flood plain near Hanoi, Vietnam. The groundwater chemistry was investigated in a transect of 100 piezometers. Results show an anoxic aquifer featuring organic carbon decomposition......(III) but some As(V) is always found. Arsenic correlates well with NH4, relating its release to organic matter decomposition and the source of As appears to be the Fe-oxides being reduced. Part of the produced Fe(II) is apparently reprecipitated as siderite containing less As. Results from sediment extraction...... chemistry over depth is homogeneous and a reactive transport model was constructed to quantify the geochemical processes along the vertical groundwater flow component. A redox zonation model was constructed using the partial equilibrium approach with organic carbon degradation in the sediment as the only...
A Multidimensional Software Engineering Course
Barzilay, O.; Hazzan, O.; Yehudai, A.
2009-01-01
Software engineering (SE) is a multidimensional field that involves activities in various areas and disciplines, such as computer science, project management, and system engineering. Though modern SE curricula include designated courses that address these various subjects, an advanced summary course that synthesizes them is still missing. Such a…
Energy Technology Data Exchange (ETDEWEB)
Verdu, G. [Departamento de Ingenieria Quimica Y Nuclear, Universitat Politecnica de Valencia, Cami de Vera, 14, 46022. Valencia (Spain); Capilla, M.; Talavera, C. F.; Ginestar, D. [Dept. of Nuclear Engineering, Departamento de Matematica Aplicada, Universitat Politecnica de Valencia, Cami de Vera, 14, 46022. Valencia (Spain)
2012-07-01
PL equations are classical high order approximations to the transport equations which are based on the expansion of the angular dependence of the angular neutron flux and the nuclear cross sections in terms of spherical harmonics. A nodal collocation method is used to discretize the PL equations associated with a neutron source transport problem. The performance of the method is tested solving two 1D problems with analytical solution for the transport equation and a classical 2D problem. (authors)
International Nuclear Information System (INIS)
Verdu, G.; Capilla, M.; Talavera, C. F.; Ginestar, D.
2012-01-01
PL equations are classical high order approximations to the transport equations which are based on the expansion of the angular dependence of the angular neutron flux and the nuclear cross sections in terms of spherical harmonics. A nodal collocation method is used to discretize the PL equations associated with a neutron source transport problem. The performance of the method is tested solving two 1D problems with analytical solution for the transport equation and a classical 2D problem. (authors)
A review of snapshot multidimensional optical imaging: Measuring photon tags in parallel
Energy Technology Data Exchange (ETDEWEB)
Gao, Liang, E-mail: gaol@illinois.edu [Department of Electrical and Computer Engineering, University of Illinois at Urbana–Champaign, 306 N. Wright St., Urbana, IL 61801 (United States); Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana–Champaign, 405 North Mathews Avenue, Urbana, IL 61801 (United States); Wang, Lihong V., E-mail: lhwang@wustl.edu [Optical imaging laboratory, Department of Biomedical Engineering, Washington University in St. Louis, One Brookings Dr., MO, 63130 (United States)
2016-02-29
Multidimensional optical imaging has seen remarkable growth in the past decade. Rather than measuring only the two-dimensional spatial distribution of light, as in conventional photography, multidimensional optical imaging captures light in up to nine dimensions, providing unprecedented information about incident photons’ spatial coordinates, emittance angles, wavelength, time, and polarization. Multidimensional optical imaging can be accomplished either by scanning or parallel acquisition. Compared with scanning-based imagers, parallel acquisition–also dubbed snapshot imaging–has a prominent advantage in maximizing optical throughput, particularly when measuring a datacube of high dimensions. Here, we first categorize snapshot multidimensional imagers based on their acquisition and image reconstruction strategies, then highlight the snapshot advantage in the context of optical throughput, and finally we discuss their state-of-the-art implementations and applications.
A symmetrized quasi-diffusion method for solving multidimensional transport problems
International Nuclear Information System (INIS)
Miften, M.M.; Larsen, E.W.
1992-01-01
In this paper, the authors propose a 'symmetrized' QD (SQD) method in which the non-self-adjoint QD diffusion problem is replaced by two self-adjoint diffusion problems. These problems are more easily discretized and more efficiently solved than in the standard QD method. They also give SQD calculational results for transport problems in x-y geometry
Advanced transport systems analysis, modeling, and evaluation of performances
Janić, Milan
2014-01-01
This book provides a systematic analysis, modeling and evaluation of the performance of advanced transport systems. It offers an innovative approach by presenting a multidimensional examination of the performance of advanced transport systems and transport modes, useful for both theoretical and practical purposes. Advanced transport systems for the twenty-first century are characterized by the superiority of one or several of their infrastructural, technical/technological, operational, economic, environmental, social, and policy performances as compared to their conventional counterparts. The advanced transport systems considered include: Bus Rapid Transit (BRT) and Personal Rapid Transit (PRT) systems in urban area(s), electric and fuel cell passenger cars, high speed tilting trains, High Speed Rail (HSR), Trans Rapid Maglev (TRM), Evacuated Tube Transport system (ETT), advanced commercial subsonic and Supersonic Transport Aircraft (STA), conventionally- and Liquid Hydrogen (LH2)-fuelled commercial air trans...
Health, Wealth and Wisdom: Exploring Multidimensional Inequality in a Developing Country
Nilsson, Therese
2010-01-01
Despite a broad theoretical literature on multidimensional inequality and a widespread belief that welfare is not synonymous to income--not the least in a developing context--empirical inequality examinations rarely includes several welfare attributes. We explore three techniques on how to evaluate multidimensional inequality using Zambian…
Phast4Windows: a 3D graphical user interface for the reactive-transport simulator PHAST.
Charlton, Scott R; Parkhurst, David L
2013-01-01
Phast4Windows is a Windows® program for developing and running groundwater-flow and reactive-transport models with the PHAST simulator. This graphical user interface allows definition of grid-independent spatial distributions of model properties-the porous media properties, the initial head and chemistry conditions, boundary conditions, and locations of wells, rivers, drains, and accounting zones-and other parameters necessary for a simulation. Spatial data can be defined without reference to a grid by drawing, by point-by-point definitions, or by importing files, including ArcInfo® shape and raster files. All definitions can be inspected, edited, deleted, moved, copied, and switched from hidden to visible through the data tree of the interface. Model features are visualized in the main panel of the interface, so that it is possible to zoom, pan, and rotate features in three dimensions (3D). PHAST simulates single phase, constant density, saturated groundwater flow under confined or unconfined conditions. Reactions among multiple solutes include mineral equilibria, cation exchange, surface complexation, solid solutions, and general kinetic reactions. The interface can be used to develop and run simple or complex models, and is ideal for use in the classroom, for analysis of laboratory column experiments, and for development of field-scale simulations of geochemical processes and contaminant transport. Published 2012. This article is a U.S. Government work and is in the public domain in the USA.
Recycling Behavior: A Multidimensional Approach
Meneses, Gonzalo Diaz; Palacio, Asuncion Beerli
2005-01-01
This work centers on the study of consumer recycling roles to examine the sociodemographic and psychographic profile of the distribution of recycling tasks and roles within the household. With this aim in mind, an empirical work was carried out, the results of which suggest that recycling behavior is multidimensional and comprises the undertaking…
SCRAM reactivity calculations with the KIKO3D code
International Nuclear Information System (INIS)
Hordosy, G.; Kerszturi, A.; Maraczy, Cs.; Temesvari, E.
1999-01-01
Discrepancies between calculated static reactivities and measured reactivities evaluated with reactivity meters led to investigating SCRAM with the KIKO3D dynamic code, The time and space dependent neutron flux in the reactor core during the rod drop measurement was calculated by the KIKO3D nodal diffusion code. For calculating the ionisation chamber signals the Green function technique was applied. The Green functions of ionisation chambers were evaluated via solving the neutron transport equation in the reflector regions with the MCNP Monte Carlo code. The detector signals during asymmetric SCRAM measurements were calculated and compared with measured data using the inverse point kinetics transformation. The sufficient agreement validates the KIKO3D code to determine the reactivities after SCRAM. (Authors)
A MULTIDIMENSIONAL AND MULTIPHYSICS APPROACH TO NUCLEAR FUEL BEHAVIOR SIMULATION
Energy Technology Data Exchange (ETDEWEB)
R. L. Williamson; J. D. Hales; S. R. Novascone; M. R. Tonks; D. R. Gaston; C. J. Permann; D. Andrs; R. C. Martineau
2012-04-01
Important aspects of fuel rod behavior, for example pellet-clad mechanical interaction (PCMI), fuel fracture, oxide formation, non-axisymmetric cooling, and response to fuel manufacturing defects, are inherently multidimensional in addition to being complicated multiphysics problems. Many current modeling tools are strictly 2D axisymmetric or even 1.5D. This paper outlines the capabilities of a new fuel modeling tool able to analyze either 2D axisymmetric or fully 3D models. These capabilities include temperature-dependent thermal conductivity of fuel; swelling and densification; fuel creep; pellet fracture; fission gas release; cladding creep; irradiation growth; and gap mechanics (contact and gap heat transfer). The need for multiphysics, multidimensional modeling is then demonstrated through a discussion of results for a set of example problems. The first, a 10-pellet rodlet, demonstrates the viability of the solution method employed. This example highlights the effect of our smeared cracking model and also shows the multidimensional nature of discrete fuel pellet modeling. The second example relies on our the multidimensional, multiphysics approach to analyze a missing pellet surface problem. As a final example, we show a lower-length-scale simulation coupled to a continuum-scale simulation.
Henri, C.; Fernandez-Garcia, D.; de Barros, F.
2013-12-01
The increasing presence of toxic chemicals released in the subsurface has led to a rapid growth of social concerns and to the need to develop and employ models that can predict the impact of groundwater contamination in human health under uncertainty. Monitored natural attenuation is a common remediation action in many contamination cases and represents an attractive decontamination method. However, natural attenuation can lead to the production of subspecies of distinct toxicity that may pose challenges in pollution management strategies. The actual threat that these contaminants pose to human health and ecosystems greatly depends on the interplay between the complexity of the geological system and the toxicity of the pollutants and their byproducts. In this work, we examine the interplay between multispecies reactive transport and the heterogeneous structure of the contaminated aquifer on human health risk predictions. The structure and organization of hydraulic properties of the aquifer can lead to preferential flow channels and fast contamination pathways. Early travel times, associated to channeling effects, are intuitively perceived as an indicator for high risk. However, in the case of multi-species systems, early travel times may also lead a limited production of daughter species that may contain higher toxicity as in the case of chlorinated compounds. In this work, we model a Perchloroethylene (PCE) contamination problem followed by the sequential first-order production/biodegradation of its daughter species Trichloroethylene (TCE), Dichloroethylene (DCE) and Vinyl Chlorine (VC). For this specific case, VC is known to be a highly toxic contaminant. By performing numerical experiments, we evaluate transport for two distinct three-dimensional aquifer structures. First, a multi-Gaussian hydraulic conductivity field and secondly, a geostatistically equivalent connected field. These two heterogeneity structures will provide two distinct ranges of mean travel
On Perturbation Components Correspondence between Diffusion and Transport
Energy Technology Data Exchange (ETDEWEB)
G. Palmiotti
2012-11-01
We have established a correspondence between perturbation components in diffusion and transport theory. In particular we have established the correspondence between the leakage perturbation component of the diffusion theory to that of the group self scattering in transport theory. This has been confirmed by practical applications on sodium void reactivity calculations of fast reactors. Why this is important for current investigations? Recently, there has been a renewed interest in designing fast reactors where the sodium void reactivity coefficient is minimized. In particular the ASTRID8,9 reactor concept has been optimized with this goal in mind. The correspondence on the leakage term that has been established here has a twofold implication for the design of this kind of reactors. First, this type of reactor has a radial reflector; therefore, as shown before, the sodium void reactivity coefficient calculation requires the use of transport theory. The minimization of the sodium reactivity coefficient is normally done by increasing the leakage component that has a negative sign. The correspondence established in this paper allows to directly look at this component in transport theory. The second implication is related to the uncertainty evaluation on sodium void reactivity. As it has shown before, the total sodium void reactivity effect is the result of a large compensation (opposite sign) between the scattering (called often spectral) component and the leakage one. Consequently, one has to evaluate separately the uncertainty on each separate component and then combine them statistically. If one wants to compute the cross section sensitivity coefficients of the two different components, the formulation established in this paper allows to achieve this goal by playing on the contribution to the sodium void reactivity coming from the group self scattering of the sodium cross section.
International Nuclear Information System (INIS)
Capilla, M.; Talavera, C.F.; Ginestar, D.; Verdú, G.
2012-01-01
Highlights: ► The multidimensional P L approximation to the nuclear transport equation is reviewed. ► A nodal collocation method is developed for the spatial discretization of P L equations. ► Advantages of the method are lower dimension and good characterists of the associated algebraic eigenvalue problem. ► The P L nodal collocation method is implemented into the computer code SHNC. ► The SHNC code is verified with 2D and 3D benchmark eigenvalue problems from Takeda and Ikeda, giving satisfactory results. - Abstract: P L equations are classical approximations to the neutron transport equations, which are obtained expanding the angular neutron flux in terms of spherical harmonics. These approximations are useful to study the behavior of reactor cores with complex fuel assemblies, for the homogenization of nuclear cross-sections, etc., and most of these applications are in three-dimensional (3D) geometries. In this work, we review the multi-dimensional P L equations and describe a nodal collocation method for the spatial discretization of these equations for arbitrary odd order L, which is based on the expansion of the spatial dependence of the fields in terms of orthonormal Legendre polynomials. The performance of the nodal collocation method is studied by means of obtaining the k eff and the stationary power distribution of several 3D benchmark problems. The solutions are obtained are compared with a finite element method and a Monte Carlo method.
Reactivity and neutron emission measurements of highly burnt PWR fuel rod samples
International Nuclear Information System (INIS)
Murphy, M.F.; Jatuff, F.; Grimm, P.; Seiler, R.; Brogli, R.; Meier, G.; Berger, H.-D.; Chawla, R.
2006-01-01
Fuel rods with burnup values beyond 50 GWd/t are characterised by relatively large amounts of fission products and a high abundance of major and minor actinides. Of particular interest is the change in the reactivity of the fuel as a function of burnup and the capability of modern codes to predict this change. In addition, the neutron emission from burnt fuel has important implications for the design of transport and storage facilities. Measurements have been made of the reactivity effects and the neutron emission rates of highly burnt uranium oxide and mixed oxide fuel rod samples coming from a pressurised water reactor (PWR). The reactivity measurements have been made in a PWR lattice in the PROTEUS zero-energy reactor moderated in turn with: water, a water and heavy water mixture and water containing boron. A combined transport flask and sample changer was used to insert the 400 mm long burnt fuel rod segments into the reactor. Both control rod compensation and reactor period methods were used to determine the reactivities of the samples. For the range of burnup values investigated, an interesting exponential relationship has been found between the neutron emission rate and the measured reactivity
Zhang, Yong; Meerschaert, Mark M.; Baeumer, Boris; LaBolle, Eric M.
2015-08-01
This study develops an explicit two-step Lagrangian scheme based on the renewal-reward process to capture transient anomalous diffusion with mixed retention and early arrivals in multidimensional media. The resulting 3-D anomalous transport simulator provides a flexible platform for modeling transport. The first step explicitly models retention due to mass exchange between one mobile zone and any number of parallel immobile zones. The mobile component of the renewal process can be calculated as either an exponential random variable or a preassigned time step, and the subsequent random immobile time follows a Hyper-exponential distribution for finite immobile zones or a tempered stable distribution for infinite immobile zones with an exponentially tempered power-law memory function. The second step describes well-documented early arrivals which can follow streamlines due to mechanical dispersion using the method of subordination to regional flow. Applicability and implementation of the Lagrangian solver are further checked against transport observed in various media. Results show that, although the time-nonlocal model parameters are predictable for transport with retention in alluvial settings, the standard time-nonlocal model cannot capture early arrivals. Retention and early arrivals observed in porous and fractured media can be efficiently modeled by our Lagrangian solver, allowing anomalous transport to be incorporated into 2-D/3-D models with irregular flow fields. Extensions of the particle-tracking approach are also discussed for transport with parameters conditioned on local aquifer properties, as required by transient flow and nonstationary media.
Energy Technology Data Exchange (ETDEWEB)
Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas; Pruess, Karsten
2008-09-29
Coupled modeling of subsurface multiphase fluid and heat flow, solute transport, and chemical reactions can be applied to many geologic systems and environmental problems, including geothermal systems, diagenetic and weathering processes, subsurface waste disposal, acid mine drainage remediation, contaminant transport, and groundwater quality. TOUGHREACT has been developed as a comprehensive non-isothermal multi-component reactive fluid flow and geochemical transport simulator to investigate these and other problems. A number of subsurface thermo-physical-chemical processes are considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. TOUGHREACT can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity. The code can accommodate any number of chemical species present in liquid, gas and solid phases. A variety of equilibrium chemical reactions are considered, such as aqueous complexation, gas dissolution/exsolution, and cation exchange. Mineral dissolution/precipitation can take place subject to either local equilibrium or kinetic controls, with coupling to changes in porosity and permeability and capillary pressure in unsaturated systems. Chemical components can also be treated by linear adsorption and radioactive decay. The first version of the non-isothermal reactive geochemical transport code TOUGHREACT was developed (Xu and Pruess, 1998) by introducing reactive geochemistry into the framework of the existing multi-phase fluid and heat flow code TOUGH2 (Pruess, 1991). TOUGHREACT was further enhanced with the addition of (1) treatment of mineral-water-gas reactive-transport under boiling conditions, (2) an improved HKF activity model for aqueous species, (3) gas species diffusion coefficients calculated as a function of pressure, temperature, and molecular properties, (4) mineral reactive surface area formulations for fractured
Desulfurization Sorbents for Transport-Bed Applications
International Nuclear Information System (INIS)
Gupta, Raghubir P.; Turk, Brian S.; Vierheilig, Albert A.
1997-01-01
This project extends the prior work on the development of fluidizable zinc titanate particles using a spray-drying technique to impart high reactivity and attrition resistance. The specific objectives are: (1) To develop highly reactive and attrition-resistant zinc titanate sorbents in 40- to 150-(micro)m particle size range for transport reactor applications; (2) To transfer sorbent production technology to private sector; and (3) To provide technical support to Sierra Pacific Clean Coal Technology Demonstration plant and FETC's Hot-Gas Desulfurization Process Development Unit (PDU), both employing a transport reactor system
Multidimensional poverty: an alternative measurement approach for the United States?
Waglé, Udaya R
2008-06-01
International poverty research has increasingly underscored the need to use multidimensional approaches to measure poverty. Largely embraced in Europe and elsewhere, this has not had much impact on the way poverty is measured in the United States. In this paper, I use a comprehensive multidimensional framework including economic well-being, capability, and social inclusion to examine poverty in the US. Data from the 2004 General Social Survey support the interconnectedness among these poverty dimensions, indicating that the multidimensional framework utilizing a comprehensive set of information provides a compelling value added to poverty measurement. The suggested demographic characteristics of the various categories of the poor are somewhat similar between this approach and other traditional approaches. But the more comprehensive and accurate measurement outcomes from this approach help policymakers target resources at the specific groups.
A new multidimensional model with text dimensions: definition and implementation
Directory of Open Access Journals (Sweden)
MariaJ. Martin-Bautista
2013-02-01
Full Text Available We present a new multidimensional model with textual dimensions based on a knowledge structure extracted from the texts, where any textual attribute in a database can be processed, and not only XML texts. This dimension allows to treat the textual data in the same way as the non-textual one in an automatic way, without user's intervention, so all the classical operations in the multidimensional model can been defined for this textual dimension. While most of the models dealing with texts that can be found in the literature are not implemented, in this proposal, the multidimensional model and the OLAP system have been implemented in a software tool, so it can be tested on real data. A case study with medical data is included in this work.
Multi-dimensional quasitoeplitz Markov chains
Directory of Open Access Journals (Sweden)
Alexander N. Dudin
1999-01-01
Full Text Available This paper deals with multi-dimensional quasitoeplitz Markov chains. We establish a sufficient equilibrium condition and derive a functional matrix equation for the corresponding vector-generating function, whose solution is given algorithmically. The results are demonstrated in the form of examples and applications in queues with BMAP-input, which operate in synchronous random environment.
Multidimensional integral representations problems of analytic continuation
Kytmanov, Alexander M
2015-01-01
The monograph is devoted to integral representations for holomorphic functions in several complex variables, such as Bochner-Martinelli, Cauchy-Fantappiè, Koppelman, multidimensional logarithmic residue etc., and their boundary properties. The applications considered are problems of analytic continuation of functions from the boundary of a bounded domain in C^n. In contrast to the well-known Hartogs-Bochner theorem, this book investigates functions with the one-dimensional property of holomorphic extension along complex lines, and includes the problems of receiving multidimensional boundary analogs of the Morera theorem. This book is a valuable resource for specialists in complex analysis, theoretical physics, as well as graduate and postgraduate students with an understanding of standard university courses in complex, real and functional analysis, as well as algebra and geometry.
Directory of Open Access Journals (Sweden)
Khadijeh Qorbani
2017-02-01
Full Text Available The enormous amount of methane stored in natural gas hydrates (NGHsworldwide offers a signiﬁcant potential source of energy. NGHs will be generally unable to reach thermodynamic equilibrium at their in situ reservoir conditions due to the number of active phases involved. Lack of reliable ﬁeld data makes it difﬁcult to predict the production potential and safety of CH4 production from NGHs. While the computer simulations will never be able to replace ﬁeld data, one can apply state-of-the-artmodellingtechniquestoevaluateseveralpossiblelong-termscenarios. Realistic kinetic models for hydrate dissociation and reformation will be required, as well as analysis of all phase transition routes. This work utilizes our in-house extension of RetrasoCodeBright (RCB, a reactive transport simulator, to perform a gas hydrate production case study of the Bjørnøya (Bear Island basin, a promising ﬁeld with very limited geological data reported by available ﬁeld studies. The use of a reactive transport simulator allowed us to implement non-equilibrium thermodynamics for analysisofCH4 production from the gas hydrates by treating each phase transition involving hydrates as a pseudo reaction. Our results showed a rapid propagation of the pressure drop through the reservoir following the imposition of pressure drawdown at the well. Consequently, gas hydrate dissociation and CH4 production began in the early stages of the ﬁve-year simulation period.
Analysis of void reactivity measurements in full MOX BWR physics experiments
International Nuclear Information System (INIS)
Ando, Yoshihira; Yamamoto, Toru; Umano, Takuya
2008-01-01
In the full MOX BWR physics experiments, FUBILA, four 9x9 test assemblies simulating BWR full MOX assemblies were located in the center of the core. Changing the in-channel moderator condition of the four assemblies from 0% void to 40% and 70% void mock-up, void reactivity was measured using Amplified Source Method (ASM) technique in the subcritical cores, in which three fission chambers were located. ASM correction factors necessary to express the consistency of the detector efficiency between measured core configurations were calculated using collision probability cell calculation and 3D-transport core calculation with the nuclear data library, JENDL-3.3. Measured reactivity worth with ASM correction factor was compared with the calculated results obtained through a diffusion, transport and continuous energy Monte Carlo calculation respectively. It was confirmed that the measured void reactivity worth was reproduced well by calculations. (author)
''Use of perturbative methods to break down the variation of reactivity between two systems''
International Nuclear Information System (INIS)
Perruchot-Triboulet, S.; Sanchez, R.
1997-01-01
The modification of the isotopic composition, the temperature or even accounting for across section uncertainties in one part of a nuclear reactor core, affects the value of the effective multiplication factor. A new tool allows the analysis of the reactivity effect generated by the modification of the system. With the help of the direct and adjoint fluxes, a detailed balance of reactivity, between the compared systems, is done for each isotopic cross section. After the presentation of the direct and adjoint transport equations in the context of the multigroup code transport APOLLO2, this note describes the method, based on perturbation theory, for the analysis of the reactivity variation. An example application is also given. (author)
Using the Andrews Plotss to Visualize Multidimensional Data in Multi-criteria Optimization
Directory of Open Access Journals (Sweden)
S. V. Groshev
2015-01-01
Full Text Available Currently, issues on processing of large data volumes are of great importance. Initially, the Andrews plots have been proposed to show multidimensional statistics on the plane. But as the Andrews plots retain information on the average values of the represented values, distances, and dispersion, the distances between the plots linearly indicate distances between the data points, and it becomes possible to use the plots under consideration for the graphical representation of multi-dimensional data of various kinds. The paper analyses a diversity of various mathematical apparatus for Andrews plotting to visualize multi-dimensional data.The first section provides basic information about the Andrews plots, as well as about a test set of multidimensional data in Iris Fischer’s literature. Analysis of the Andrews plot properties shows that they provide a limitlessly many one-dimensional projections on the vectors and, furthermore, the plots, which are nearer to each other, correspond to nearly points. All this makes it possible to use the plots under consideration for multi-dimensional data representation. The paper considers the Andrews plot formation based on Fourier transform functions, and from the analysis results of plotting based on a set of the test, it draws a conclusion that in this way it is possible to provide clustering of multidimensional data.The second section of the work deals with research of different ways to modify the Andrews plots in order to improve the perception of the graphical representation of multidimensional data. Different variants of the Andrews plot projections on the coordinate planes and arbitrary subspaces are considered. In addition, the paper studies an effect of the Andrews plot scaling on the visual perception of multidimensional data.The paper’s third section describes Andrews plotting based on different polynomials, in particular, Chebyshev and Legendre polynomials. It is shown that the resulting image is
International Nuclear Information System (INIS)
Carver, M.B.
1983-01-01
Components of reactor systems and related equipment are identified in which multidimensional computational thermal hydraulics can be used to advantage to assess and improve design. Models of single- and two-phase flow are reviewed, and the governing equations for multidimensional analysis are discussed. Suitable computational algorithms are introduced, and sample results from the application of particular multidimensional computer codes are given
Pathways into chronic multidimensional poverty amongst older people: a longitudinal study.
Callander, Emily J; Schofield, Deborah J
2016-03-07
The use of multidimensional poverty measures is becoming more common for measuring the living standards of older people. However, the pathways into poverty are relatively unknown, nor is it known how this affects the length of time people are in poverty for. Using Waves 1 to 12 of the nationally representative Household, Income and Labour Dynamics in Australia (HILDA) survey, longitudinal analysis was undertaken to identify the order that key forms of disadvantage develop - poor health, low income and insufficient education attainment - amongst Australians aged 65 years and over in multidimensional poverty, and the relationship this has with chronic poverty. Path analysis and linear regression models were used. For all older people with at least a Year 10 level of education attainment earlier mental health was significantly related to later household income (p = 0.001) and wealth (p = 0.017). For all older people with at less than a Year 10 level of education attainment earlier household income was significantly related to later mental health (p = 0.021). When limited to those in multidimensional poverty who were in income poverty and also had poor health, older people generally fell into income poverty first and then developed poor health. The order in which income poverty and poor health were developed had a significant influence on the length of time older people with less than a Year 10 level of education attainment were in multidimensional poverty for. Those who developed poor health first then fell into income poverty spend significantly less time in multidimensional poverty (-4.90, p poverty then developed poor health. Knowing the order that different forms of disadvantage develop, and the influence this has on poverty entrenchment, is of use to policy makers wishing to provide interventions to prevent older people being in long-term multidimensional poverty.
International Nuclear Information System (INIS)
Hardin, Emmanuelle
1999-01-01
The study of cation interactions with solid materials is useful in order to define the chemistry interaction component of the MIMICC project (Multidimensional Instrumented Module for Investigations on chemistry-transport Coupled Codes). This project will validate the chemistry-transport coupled codes. Database have to be supplied on the cesium or ytterbium interactions with solid materials in suspension. The solid materials are: a strong cation exchange resin, a natural sand which presents small impurities, and a zirconium phosphate. The cation exchange resin is useful to check that the surface complexation theory can be applied on a pure cation exchanger. The sand is a natural material, and its isotherms will be interpreted using pure oxide-cation system data, such as pure silica-cation data. Then the study on the zirconium phosphate salt is interesting because of the increasing complexity in the processes (dissolution, sorption and co-precipitation). These data will enable to approach natural systems, constituted by several complex solids which can interfere on each other. These data can also be used for chemistry-transport coupled codes. Potentiometric titration, sorption isotherms, sorption kinetics, cation surface saturation curves are made, in order to obtain the different parameters relevant to the cation sorption at the solid surface, for each solid-electrolyte-cation system. The influence of different parameters such as ionic strength, pH, and electrolyte is estimated. All the experimental curves are fitted with FITEQL code based on the surface complexation theory using the constant capacitance model, in order to give a mechanistic interpretation of the ion retention phenomenon at the solid surface. The speciation curves of all systems are plotted, using the FITEQL code too. Systems with an increasing complexity are studied: dissolution, sorption and coprecipitation coexist in the cation-salt systems. Then the data obtained on each single solid, considered
Multi-dimensional database design and implementation of dam safety monitoring system
Directory of Open Access Journals (Sweden)
Zhao Erfeng
2008-09-01
Full Text Available To improve the effectiveness of dam safety monitoring database systems, the development process of a multi-dimensional conceptual data model was analyzed and a logic design was achieved in multi-dimensional database mode. The optimal data model was confirmed by identifying data objects, defining relations and reviewing entities. The conversion of relations among entities to external keys and entities and physical attributes to tables and fields was interpreted completely. On this basis, a multi-dimensional database that reflects the management and analysis of a dam safety monitoring system on monitoring data information has been established, for which factual tables and dimensional tables have been designed. Finally, based on service design and user interface design, the dam safety monitoring system has been developed with Delphi as the development tool. This development project shows that the multi-dimensional database can simplify the development process and minimize hidden dangers in the database structure design. It is superior to other dam safety monitoring system development models and can provide a new research direction for system developers.
Multi-dimensional indoor location information model
Xiong, Q.; Zhu, Q.; Zlatanova, S.; Huang, L.; Zhou, Y.; Du, Z.
2013-01-01
Aiming at the increasing requirements of seamless indoor and outdoor navigation and location service, a Chinese standard of Multidimensional Indoor Location Information Model is being developed, which defines ontology of indoor location. The model is complementary to 3D concepts like CityGML and
International Nuclear Information System (INIS)
Bor-Jing Chang; Yen-Wan H. Liu
1992-01-01
The HYBRID, or mixed group and point, method was developed to solve the neutron transport equation deterministically using detailed treatment at cross section minima for deep penetration calculations. Its application so far is limited to one-dimensional calculations due to the enormous computing time involved in multi-dimensional calculations. In this article, a collapsing method is developed for the mixed group and point cross section sets to provide a more direct and practical way of using the HYBRID method in the multi-dimensional calculations. A testing problem is run. The method is then applied to the calculation of a deep penetration benchmark experiment. It is observed that half of the window effect is smeared in the collapsing treatment, but it still provide a better cross section set than the VITAMIN-C cross sections for the deep penetrating calculations
AUS, Neutron Transport and Gamma Transport System for Fission Reactors and Fusion Reactors
International Nuclear Information System (INIS)
1990-01-01
1 - Description of program or function: AUS is a neutronics code system which may be used for calculations of a wide range of fission reactors, fusion blankets and other neutron applications. The present version, AUS98, has a nuclear cross section library based on ENDF/B-VI and includes modules which provide for reactor lattice calculations, one-dimensional transport calculations, multi-dimensional diffusion calculations, cell and whole reactor burnup calculations, and flexible editing of results. Calculations of multi-region resonance shielding, coupled neutron and photon transport, energy deposition, fission product inventory and neutron diffusion are combined within the one code system. The major changes from the previous release, AUS87, are the inclusion of a cross-section library based on ENDF/B-VI, the addition of the POW3D multi-dimensional diffusion module, the addition of the MICBURN module for controlling whole reactor burnup calculations, and changes to the system as a consequence of moving from IBM mainframe computers to UNIX workstations. 2 - Method of solution: AUS98 is a modular system in which the modules are complete programs linked by a path given in the input stream. A simple path is simply a sequence of modules, but the path is actually pre-processed and compiled using the Fortran 77 compiler. This provides for complex module linking if required. Some of the modules included in AUS98 are: MIRANDA Cross-section generation in a multi-region resonance subgroup calculation and preliminary group condensation. ANAUSN One-dimensional discrete ordinates calculation. ICPP Isotropic collision probability calculation in one dimension and for rod clusters. POW3D Multi-dimensional neutron diffusion calculation including feedback-free kinetics. AUSIDD One-dimensional diffusion calculation. EDITAR Reaction-rate editing and group collapsing following a transport calculation. CHAR Lattice and global burnup calculation. MICBURN Control of global burnup
Crişan, Liviu G.; Vulturar, Romana; Miclea, Mircea; Miu, Andrei C.
2016-01-01
Recent research indicates that subclinical social anxiety is associated with dysfunctions at multiple psychological and biological levels, in a manner that seems reminiscent of social anxiety disorder (SAD). This study aimed to describe multidimensional responses to laboratory-induced social stress in an analog sample selected for social anxiety symptoms. State anxiety, cognitive biases related to negative social evaluation, speech anxiety behaviors, and cortisol reactivity were assessed in the Trier Social Stress Test (TSST). Results showed that social anxiety symptoms were associated with increased state anxiety, biased appraisals related to the probability and cost of negative social evaluations, behavioral changes in facial expression that were consistent with speech anxiety, and lower cortisol reactivity. In addition, multiple interrelations between responses in the TSST were found, with positive associations between subjective experience, cognitive appraisals, and observable behavior, as well as negative associations between each of the former two types of response and cortisol reactivity. These results show that in response to social stressors, subclinical social anxiety is associated with significant changes in emotional experience, cognitive appraisals, behaviors, and physiology that could parallel those previously found in SAD samples. PMID:26858658
Frost Multidimensional Perfectionism Scale: the portuguese version
Directory of Open Access Journals (Sweden)
Ana Paula Monteiro Amaral
2013-01-01
Full Text Available BACKGROUND: The Frost Multidimensional Perfectionism Scale is one of the most world widely used measures of perfectionism. OBJECTIVE: To analyze the psychometric properties of the Portuguese version of the Frost Multidimensional Perfectionism Scale. METHODS: Two hundred and seventeen (178 females students from two Portuguese Universities filled in the scale, and a subgroup (n = 166 completed a retest with a four weeks interval. RESULTS: The scale reliability was good (Cronbach alpha = .857. Corrected item-total correlations ranged from .019 to .548. The scale test-retest reliability suggested a good temporal stability with a test-retest correlation of .765. A principal component analysis with Varimax rotation was performed and based on the Scree plot, two robust factorial structures were found (four and six factors. The principal component analyses, using Monte Carlo PCA for parallel analyses confirmed the six factor solution. The concurrent validity with Hewitt and Flett MPS was high, as well as the discriminant validity of positive and negative affect (Profile of Mood Stats-POMS. DISCUSSION: The two factorial structures (of four and six dimensions of the Portuguese version of Frost Multidimensional Perfectionism Scale replicate the results from different authors, with different samples and cultures. This suggests this scale is a robust instrument to assess perfectionism, in several clinical and research settings as well as in transcultural studies.
The multidimensional nucleon structure
Directory of Open Access Journals (Sweden)
Pasquini Barbara
2016-01-01
Full Text Available We discuss different kinds of parton distributions, which allow one to obtain a multidimensional picture of the internal structure of the nucleon. We use the concept of generalized transverse momentum dependent parton distributions and Wigner distributions, which combine the features of transverse-momentum dependent parton distributions and generalized parton distributions. We show examples of these functions within a phenomenological quark model, with focus on the role of the spin-spin and spin-orbit correlations of quarks.
Multi-Dimensional Customer Data Analysis in Online Auctions
Institute of Scientific and Technical Information of China (English)
LAO Guoling; XIONG Kuan; QIN Zheng
2007-01-01
In this paper, we designed a customer-centered data warehouse system with five subjects: listing, bidding, transaction,accounts, and customer contact based on the business process of online auction companies. For each subject, we analyzed its fact indexes and dimensions. Then take transaction subject as example,analyzed the data warehouse model in detail, and got the multi-dimensional analysis structure of transaction subject. At last, using data mining to do customer segmentation, we divided customers into four types: impulse customer, prudent customer, potential customer, and ordinary customer. By the result of multi-dimensional customer data analysis, online auction companies can do more target marketing and increase customer loyalty.
Multidimensional artificial field embedding with spatial sensitivity
CSIR Research Space (South Africa)
Lunga, D
2013-06-01
Full Text Available Multidimensional embedding is a technique useful for characterizing spectral signature relations in hyperspectral images. However, such images consist of disjoint similar spectral classes that are spatially sensitive, thus presenting challenges...
Assessment of health surveys: fitting a multidimensional graded response model.
Depaoli, Sarah; Tiemensma, Jitske; Felt, John M
The multidimensional graded response model, an item response theory (IRT) model, can be used to improve the assessment of surveys, even when sample sizes are restricted. Typically, health-based survey development utilizes classical statistical techniques (e.g. reliability and factor analysis). In a review of four prominent journals within the field of Health Psychology, we found that IRT-based models were used in less than 10% of the studies examining scale development or assessment. However, implementing IRT-based methods can provide more details about individual survey items, which is useful when determining the final item content of surveys. An example using a quality of life survey for Cushing's syndrome (CushingQoL) highlights the main components for implementing the multidimensional graded response model. Patients with Cushing's syndrome (n = 397) completed the CushingQoL. Results from the multidimensional graded response model supported a 2-subscale scoring process for the survey. All items were deemed as worthy contributors to the survey. The graded response model can accommodate unidimensional or multidimensional scales, be used with relatively lower sample sizes, and is implemented in free software (example code provided in online Appendix). Use of this model can help to improve the quality of health-based scales being developed within the Health Sciences.
Energy Technology Data Exchange (ETDEWEB)
Bornard, P. [Reseau de Transport d' Electricite (RTE), Div. Systeme Electrique, 92 - Paris la Defense (France); Pavard, M. [Electricite de France (EDF), 75 - Paris (France); Testud, G. [Reseau de Transport d' Electricite (RTE), Dept. Exploitation du Systeme Electrique, 92 - Paris la Defense (France)
2005-10-01
Keeping the mastery of the safety of a power transportation system and respecting the contractual commitments with respect to the network users implies the implementation of efficient frequency and voltage adjustment systems. This article presents a synthetic overview of the methods and means implemented to ensure the adjustment of the voltage and frequency and the stability of very-high voltage power transportation networks: 1 - recalls of the general problem; 2 - frequency and active power adjustment: adapting generation to consumption, adapting consumption to generation; 3 - voltage and reactive power adjustment: duality of the voltage-reactive compensation adjustment, compensation of the reactive power, voltage adjustment chain, voltage adjustment of very high voltage networks, collapse of the voltage plan; 4 - alternators stability: static stability, transient stability, numerical simulation methods, stability improvement; 5 - conclusion. (J.S.)
Energy Technology Data Exchange (ETDEWEB)
Heidaryan, E. [Islamic Azad Univ., Tehran (Iran, Islamic Republic of). Masjidosolayman Branch; Enayati, M.; Mokhtari, B. [Iranian Offshore Oil Co., Tehran (Iran, Islamic Republic of)
2008-07-01
Over long time periods, geological sequestration in some systems shows mineralization effects or mineral sequestration of carbon dioxide, converting the carbon dioxide to a less mobile form. However, a detailed investigation of these geological systems is needed before disposing of carbon dioxide into these formations. Depleted oil and gas reservoirs and underground aquifers are proposed candidates for carbon dioxide injection. This paper presented an experimental investigation into the reactive transport module for handling aquifer sequestration of carbon dioxide and modeling of simultaneous geochemical reactions. Two cases of laboratory carbon dioxide sequestration experiments, conducted for different rock systems were modeled using the fully coupled geochemical compositional simulator. The relevant permeability relationships were compared to determine the best fit with the experimental results. The paper discussed the theory of modeling; geochemical reactions and mineral trapping of carbon dioxide; and application simulator for modeling including the remodeling of flow experiments. It was concluded that simulated changes in porosity and permeability could mimic experimental results to some extent. The study satisfactorily simulated the results of experimental observations and permeability results could be improved if the Kozeny-Carman equation was replaced by the Civan power law. 6 refs., 2 tabs., 21 figs.
Energy Technology Data Exchange (ETDEWEB)
Andre, L.; Spycher, N.; Xu, T.; Pruess, K.; Vuataz, F.-D.
2005-11-15
Coupled modelling of fluid flow and reactive transport ingeothermal systems is challenging because of reservoir conditions such ashigh temperatures, elevated pressures and sometimes high salinities ofthe formation fluids. Thermal hydrological-chemical (THC) codes, such asFRACHEM and TOUGHREACT, have been developed to evaluate the long-termhydrothermal and chemical evolution of exploited reservoirs. In thisstudy, the two codes were applied to model the same geothermal reservoir,to forecast reservoir evolution using respective thermodynamic andkinetic input data. A recent (unreleased) TOUGHREACT version allows theuse of either an extended Debye-Hu?ckel or Pitzer activity model forcalculating activity coefficients, while FRACHEM was designed to use thePitzer formalism. Comparison of models results indicate that differencesin thermodynamic equilibrium constants, activity coefficients andkinetics models can result in significant differences in predictedmineral precipitation behaviour and reservoir-porosity evolution.Differences in the calculation schemes typically produce less differencein model outputs than differences in input thermodynamic and kineticdata, with model results being particularly sensitive to differences inion-interaction parameters for highsalinity systems.
MCMC estimation of multidimensional IRT models
Beguin, Anton; Glas, Cornelis A.W.
1998-01-01
A Bayesian procedure to estimate the three-parameter normal ogive model and a generalization to a model with multidimensional ability parameters are discussed. The procedure is a generalization of a procedure by J. Albert (1992) for estimating the two-parameter normal ogive model. The procedure will
Implementation of multidimensional databases in column-oriented NoSQL systems
Chevalier, Max; El Malki, Mohammed; Kopliku, Arlind; Teste, Olivier; Tournier, Ronan
2015-01-01
International audience; NoSQL (Not Only SQL) systems are becoming popular due to known advantages such as horizontal scalability and elasticity. In this paper, we study the implementation of multidimensional data warehouses with columnoriented NoSQL systems. We define mapping rules that transform the conceptual multidimensional data model to logical column-oriented models. We consider three different logical models and we use them to instantiate data warehouses. We focus on data loading, mode...
Portable laser synthesizer for high-speed multi-dimensional spectroscopy
Demos, Stavros G [Livermore, CA; Shverdin, Miroslav Y [Sunnyvale, CA; Shirk, Michael D [Brentwood, CA
2012-05-29
Portable, field-deployable laser synthesizer devices designed for multi-dimensional spectrometry and time-resolved and/or hyperspectral imaging include a coherent light source which simultaneously produces a very broad, energetic, discrete spectrum spanning through or within the ultraviolet, visible, and near infrared wavelengths. The light output is spectrally resolved and each wavelength is delayed with respect to each other. A probe enables light delivery to a target. For multidimensional spectroscopy applications, the probe can collect the resulting emission and deliver this radiation to a time gated spectrometer for temporal and spectral analysis.
Emotional non-acceptance links early life stress and blunted cortisol reactivity to social threat.
Cărnuţă, Mihai; Crişan, Liviu G; Vulturar, Romana; Opre, Adrian; Miu, Andrei C
2015-01-01
Early life stress (ELS) has been recently associated with blunted cortisol reactivity and emotion dysregulation, but no study until now examined whether these characteristics are related. The main goal of this study was to examine the potential mediator role of emotion dysregulation in the relation between ELS and cortisol reactivity to social threat. Only women who were free of psychiatric and endocrine disorders, had regular menstrual cycle and did not use oral contraceptives were selected for this study (N=62). After filling in ELS and multidimensional emotion dysregulation measures, participants underwent the Trier Social Stress Test during which cortisol and autonomic responses were assessed. Most participants (85.5%) reported one or more major stressful events (i.e., physical abuse, sexual abuse, major parental conflicts, death of a family or close friend, severe illness) experienced before age 17. ELS was negatively associated with cortisol reactivity and positively associated with skin conductance level (SCL) reactivity, but it did not influence heart rate and respiratory sinus arrhythmia. In addition, ELS was positively related to emotional non-acceptance (i.e., a tendency to develop secondary emotional responses to one's negative emotions), and the latter was negatively related to cortisol responses and positively related to SCL responses. Bootstrapping analyses indicated that emotional non-acceptance was a significant mediator in the relationships between ELS and both cortisol and SCL responses. Emotional non-acceptance is thus one of the psychological mechanisms underlying blunted cortisol and increased sympathetic reactivity in young healthy volunteers with a history of ELS. Copyright © 2014 Elsevier Ltd. All rights reserved.
ITS - The integrated TIGER series of coupled electron/photon Monte Carlo transport codes
International Nuclear Information System (INIS)
Halbleib, J.A.; Mehlhorn, T.A.
1985-01-01
The TIGER series of time-independent coupled electron/photon Monte Carlo transport codes is a group of multimaterial, multidimensional codes designed to provide a state-of-the-art description of the production and transport of the electron/photon cascade. The codes follow both electrons and photons from 1.0 GeV down to 1.0 keV, and the user has the option of combining the collisional transport with transport in macroscopic electric and magnetic fields of arbitrary spatial dependence. Source particles can be either electrons or photons. The most important output data are (a) charge and energy deposition profiles, (b) integral and differential escape coefficients for both electrons and photons, (c) differential electron and photon flux, and (d) pulse-height distributions for selected regions of the problem geometry. The base codes of the series differ from one another primarily in their dimensionality and geometric modeling. They include (a) a one-dimensional multilayer code, (b) a code that describes the transport in two-dimensional axisymmetric cylindrical material geometries with a fully three-dimensional description of particle trajectories, and (c) a general three-dimensional transport code which employs a combinatorial geometry scheme. These base codes were designed primarily for describing radiation transport for those situations in which the detailed atomic structure of the transport medium is not important. For some applications, it is desirable to have a more detailed model of the low energy transport. The system includes three additional codes that contain a more elaborate ionization/relaxation model than the base codes. Finally, the system includes two codes that combine the collisional transport of the multidimensional base codes with transport in macroscopic electric and magnetic fields of arbitrary spatial dependence
Exploring and linking biomedical resources through multidimensional semantic spaces.
Berlanga, Rafael; Jiménez-Ruiz, Ernesto; Nebot, Victoria
2012-01-25
The semantic integration of biomedical resources is still a challenging issue which is required for effective information processing and data analysis. The availability of comprehensive knowledge resources such as biomedical ontologies and integrated thesauri greatly facilitates this integration effort by means of semantic annotation, which allows disparate data formats and contents to be expressed under a common semantic space. In this paper, we propose a multidimensional representation for such a semantic space, where dimensions regard the different perspectives in biomedical research (e.g., population, disease, anatomy and protein/genes). This paper presents a novel method for building multidimensional semantic spaces from semantically annotated biomedical data collections. This method consists of two main processes: knowledge and data normalization. The former one arranges the concepts provided by a reference knowledge resource (e.g., biomedical ontologies and thesauri) into a set of hierarchical dimensions for analysis purposes. The latter one reduces the annotation set associated to each collection item into a set of points of the multidimensional space. Additionally, we have developed a visual tool, called 3D-Browser, which implements OLAP-like operators over the generated multidimensional space. The method and the tool have been tested and evaluated in the context of the Health-e-Child (HeC) project. Automatic semantic annotation was applied to tag three collections of abstracts taken from PubMed, one for each target disease of the project, the Uniprot database, and the HeC patient record database. We adopted the UMLS Meta-thesaurus 2010AA as the reference knowledge resource. Current knowledge resources and semantic-aware technology make possible the integration of biomedical resources. Such an integration is performed through semantic annotation of the intended biomedical data resources. This paper shows how these annotations can be exploited for
Reactive Transport Analysis of Fault 'Self-sealing' Associated with CO2 Storage
Patil, V.; McPherson, B. J. O. L.; Priewisch, A.; Franz, R. J.
2014-12-01
We present an extensive hydrologic and reactive transport analysis of the Little Grand Wash fault zone (LGWF), a natural analog of fault-associated leakage from an engineered CO2 repository. Injecting anthropogenic CO2 into the subsurface is suggested for climate change mitigation. However, leakage of CO2 from its target storage formation into unintended areas is considered as a major risk involved in CO2 sequestration. In the event of leakage, permeability in leakage pathways like faults may get sealed (reduced) due to precipitation or enhanced (increased) due to dissolution reactions induced by CO2-enriched water, thus influencing migration and fate of the CO2. We hypothesize that faults which act as leakage pathways can seal over time in presence of CO2-enriched waters. An example of such a fault 'self-sealing' is found in the LGWF near Green River, Utah in the Paradox basin, where fault outcrop shows surface and sub-surface fractures filled with calcium carbonate (CaCO3). The LGWF cuts through multiple reservoirs and seal layers piercing a reservoir of naturally occurring CO2, allowing it to leak into overlying aquifers. As the CO2-charged water from shallower aquifers migrates towards atmosphere, a decrease in pCO2 leads to supersaturation of water with respect to CaCO3, which precipitates in the fractures of the fault damage zone. In order to test the nature, extent and time-frame of the fault sealing, we developed reactive flow simulations of the LGWF. Model parameters were chosen based on hydrologic measurements from literature. Model geochemistry was constrained by water analysis of the adjacent Crystal Geyser and observations from a scientific drilling test conducted at the site. Precipitation of calcite in the top portion of the fault model led to a decrease in the porosity value of the damage zone, while clay precipitation led to a decrease in the porosity value of the fault core. We found that the results were sensitive to the fault architecture
Testlet-Based Multidimensional Adaptive Testing.
Frey, Andreas; Seitz, Nicki-Nils; Brandt, Steffen
2016-01-01
Multidimensional adaptive testing (MAT) is a highly efficient method for the simultaneous measurement of several latent traits. Currently, no psychometrically sound approach is available for the use of MAT in testlet-based tests. Testlets are sets of items sharing a common stimulus such as a graph or a text. They are frequently used in large operational testing programs like TOEFL, PISA, PIRLS, or NAEP. To make MAT accessible for such testing programs, we present a novel combination of MAT with a multidimensional generalization of the random effects testlet model (MAT-MTIRT). MAT-MTIRT compared to non-adaptive testing is examined for several combinations of testlet effect variances (0.0, 0.5, 1.0, and 1.5) and testlet sizes (3, 6, and 9 items) with a simulation study considering three ability dimensions with simple loading structure. MAT-MTIRT outperformed non-adaptive testing regarding the measurement precision of the ability estimates. Further, the measurement precision decreased when testlet effect variances and testlet sizes increased. The suggested combination of the MTIRT model therefore provides a solution to the substantial problems of testlet-based tests while keeping the length of the test within an acceptable range.
Testlet-based Multidimensional Adaptive Testing
Directory of Open Access Journals (Sweden)
Andreas Frey
2016-11-01
Full Text Available Multidimensional adaptive testing (MAT is a highly efficient method for the simultaneous measurement of several latent traits. Currently, no psychometrically sound approach is available for the use of MAT in testlet-based tests. Testlets are sets of items sharing a common stimulus such as a graph or a text. They are frequently used in large operational testing programs like TOEFL, PISA, PIRLS, or NAEP. To make MAT accessible for such testing programs, we present a novel combination of MAT with a multidimensional generalization of the random effects testlet model (MAT-MTIRT. MAT-MTIRT compared to non-adaptive testing is examined for several combinations of testlet effect variances (0.0, 0.5, 1.0, 1.5 and testlet sizes (3 items, 6 items, 9 items with a simulation study considering three ability dimensions with simple loading structure. MAT-MTIRT outperformed non-adaptive testing regarding the measurement precision of the ability estimates. Further, the measurement precision decreased when testlet effect variances and testlet sizes increased. The suggested combination of the MTIRT model therefore provides a solution to the substantial problems of testlet-based tests while keeping the length of the test within an acceptable range.
Effect Size Measures for Differential Item Functioning in a Multidimensional IRT Model
Suh, Youngsuk
2016-01-01
This study adapted an effect size measure used for studying differential item functioning (DIF) in unidimensional tests and extended the measure to multidimensional tests. Two effect size measures were considered in a multidimensional item response theory model: signed weighted P-difference and unsigned weighted P-difference. The performance of…
International Nuclear Information System (INIS)
Lee, Seok Min; Lee, Un Chul; Bae, Sung Won; Chung, Bub Dong
2004-01-01
The Multi-Dimensional flow models in system code have been developed during the past many years. RELAP5-3D, CATHARE and TRACE has its specific multi-dimensional flow models and successfully applied it to the system safety analysis. In KAERI, also, MARS(Multi-dimensional Analysis of Reactor Safety) code was developed by integrating RELAP5/MOD3 code and COBRA-TF code. Even though COBRA-TF module can analyze three-dimensional flow models, it has a limitation to apply 3D shear stress dominant phenomena or cylindrical geometry. Therefore, Multi-dimensional analysis models are newly developed by implementing three-dimensional momentum flux and diffusion terms. The multi-dimensional model has been assessed compared with multi-dimensional conceptual problems and CFD code results. Although the assessment results were reasonable, the multi-dimensional model has not been validated to two-phase flow using experimental data. In this paper, the multi-dimensional air-water two-phase flow experiment was simulated and analyzed
Implementation of the Multidimensional Modeling Concepts into Object-Relational Databases
Directory of Open Access Journals (Sweden)
2007-01-01
Full Text Available A key to survival in the business world is being able to analyze, plan and react to changing business conditions as fast as possible. With multidimensional models the managers can explore information at different levels of granularity and the decision makers at all levels can quickly respond to changes in the business climate-the ultimate goal of business intelligence. This paper focuses on the implementation of the multidimensional concepts into object-relational databases.
DEFF Research Database (Denmark)
Sonnenborg, Torben Obel; Engesgaard, Peter Knudegaard; Rosbjerg, Dan
1996-01-01
An application of an inverse flow and transport model to a contaminated aquifer is presented. The objective of the study is to identify physical and nonreactive flow and transport parameters through an optimization approach. The approach can be classified as a statistical procedure, where a flow...... to steady state versus transient flow conditions and to the amount of hydraulic and solute data used is investigated. The flow parameters, transmissivity and leakage factor, are estimated simultaneously with the transport parameters: source strength, porosity, and longitudinal dispersivity. This paper...
Multi-dimensional Bin Packing Problems with Guillotine Constraints
DEFF Research Database (Denmark)
Amossen, Rasmus Resen; Pisinger, David
2010-01-01
The problem addressed in this paper is the decision problem of determining if a set of multi-dimensional rectangular boxes can be orthogonally packed into a rectangular bin while satisfying the requirement that the packing should be guillotine cuttable. That is, there should exist a series of face...... parallel straight cuts that can recursively cut the bin into pieces so that each piece contains a box and no box has been intersected by a cut. The unrestricted problem is known to be NP-hard. In this paper we present a generalization of a constructive algorithm for the multi-dimensional bin packing...... problem, with and without the guillotine constraint, based on constraint programming....
Coromaldi, Manuela; Zoli, Mariangela
2012-01-01
Theoretical and empirical studies have recently adopted a multidimensional concept of poverty. There is considerable debate about the most appropriate degree of multidimensionality to retain in the analysis. In this work we add to the received literature in two ways. First, we derive indicators of multiple deprivation by applying a particular…
El Gharamti, Mohamad; Valstar, Johan R.; Hoteit, Ibrahim
2014-01-01
Reactive contaminant transport models are used by hydrologists to simulate and study the migration and fate of industrial waste in subsurface aquifers. Accurate transport modeling of such waste requires clear understanding of the system's parameters, such as sorption and biodegradation. In this study, we present an efficient sequential data assimilation scheme that computes accurate estimates of aquifer contamination and spatially variable sorption coefficients. This assimilation scheme is based on a hybrid formulation of the ensemble Kalman filter (EnKF) and optimal interpolation (OI) in which solute concentration measurements are assimilated via a recursive dual estimation of sorption coefficients and contaminant state variables. This hybrid EnKF-OI scheme is used to mitigate background covariance limitations due to ensemble under-sampling and neglected model errors. Numerical experiments are conducted with a two-dimensional synthetic aquifer in which cobalt-60, a radioactive contaminant, is leached in a saturated heterogeneous clayey sandstone zone. Assimilation experiments are investigated under different settings and sources of model and observational errors. Simulation results demonstrate that the proposed hybrid EnKF-OI scheme successfully recovers both the contaminant and the sorption rate and reduces their uncertainties. Sensitivity analyses also suggest that the adaptive hybrid scheme remains effective with small ensembles, allowing to reduce the ensemble size by up to 80% with respect to the standard EnKF scheme. © 2014 Elsevier Ltd.
El Gharamti, Mohamad
2014-09-01
Reactive contaminant transport models are used by hydrologists to simulate and study the migration and fate of industrial waste in subsurface aquifers. Accurate transport modeling of such waste requires clear understanding of the system\\'s parameters, such as sorption and biodegradation. In this study, we present an efficient sequential data assimilation scheme that computes accurate estimates of aquifer contamination and spatially variable sorption coefficients. This assimilation scheme is based on a hybrid formulation of the ensemble Kalman filter (EnKF) and optimal interpolation (OI) in which solute concentration measurements are assimilated via a recursive dual estimation of sorption coefficients and contaminant state variables. This hybrid EnKF-OI scheme is used to mitigate background covariance limitations due to ensemble under-sampling and neglected model errors. Numerical experiments are conducted with a two-dimensional synthetic aquifer in which cobalt-60, a radioactive contaminant, is leached in a saturated heterogeneous clayey sandstone zone. Assimilation experiments are investigated under different settings and sources of model and observational errors. Simulation results demonstrate that the proposed hybrid EnKF-OI scheme successfully recovers both the contaminant and the sorption rate and reduces their uncertainties. Sensitivity analyses also suggest that the adaptive hybrid scheme remains effective with small ensembles, allowing to reduce the ensemble size by up to 80% with respect to the standard EnKF scheme. © 2014 Elsevier Ltd.
Measures for a multidimensional multiverse
Chung, Hyeyoun
2015-04-01
We explore the phenomenological implications of generalizing the causal patch and fat geodesic measures to a multidimensional multiverse, where the vacua can have differing numbers of large dimensions. We consider a simple model in which the vacua are nucleated from a D -dimensional parent spacetime through dynamical compactification of the extra dimensions, and compute the geometric contribution to the probability distribution of observations within the multiverse for each measure. We then study how the shape of this probability distribution depends on the time scales for the existence of observers, for vacuum domination, and for curvature domination (tobs,tΛ , and tc, respectively.) In this work we restrict ourselves to bubbles with positive cosmological constant, Λ . We find that in the case of the causal patch cutoff, when the bubble universes have p +1 large spatial dimensions with p ≥2 , the shape of the probability distribution is such that we obtain the coincidence of time scales tobs˜tΛ˜tc . Moreover, the size of the cosmological constant is related to the size of the landscape. However, the exact shape of the probability distribution is different in the case p =2 , compared to p ≥3 . In the case of the fat geodesic measure, the result is even more robust: the shape of the probability distribution is the same for all p ≥2 , and we once again obtain the coincidence tobs˜tΛ˜tc . These results require only very mild conditions on the prior probability of the distribution of vacua in the landscape. Our work shows that the observed double coincidence of time scales is a robust prediction even when the multiverse is generalized to be multidimensional; that this coincidence is not a consequence of our particular Universe being (3 +1 )-dimensional; and that this observable cannot be used to preferentially select one measure over another in a multidimensional multiverse.
Runkel, Robert L.
2010-01-01
OTEQ is a mathematical simulation model used to characterize the fate and transport of waterborne solutes in streams and rivers. The model is formed by coupling a solute transport model with a chemical equilibrium submodel. The solute transport model is based on OTIS, a model that considers the physical processes of advection, dispersion, lateral inflow, and transient storage. The equilibrium submodel is based on MINTEQ, a model that considers the speciation and complexation of aqueous species, acid-base reactions, precipitation/dissolution, and sorption. Within OTEQ, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (waterborne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach. The model's ability to simulate pH, precipitation/dissolution, and pH-dependent sorption provides a means of evaluating the complex interactions between instream chemistry and hydrologic transport at the field scale. This report details the development and application of OTEQ. Sections of the report describe model theory, input/output specifications, model applications, and installation instructions. OTEQ may be obtained over the Internet at http://water.usgs.gov/software/OTEQ.
Multidimensional HAM-conditions
DEFF Research Database (Denmark)
Hansen, Ernst Jan de Place
Heat, Air and Moisture (HAM) conditions, experimental data are needed. Tests were performed in the large climate simulator at SBi involving full-scale wall elements. The elements were exposed for steady-state conditions, and temperature cycles simulating April and September climate in Denmark....... The effect on the moisture and temperature conditions of the addition of a vapour barrier and an outer cladding on timber frame walls was studied. The report contains comprehensive appendices documenting the full-scale tests. The tests were performed as a part of the project 'Model for Multidimensional Heat......, Air and Moisture Conditions in Building Envelope Components' carried out as a co-project between DTU Byg and SBi....
Method of allowing for resonances in calculating reactivity values
International Nuclear Information System (INIS)
Kumpf, H.
1985-01-01
On the basis of the integral transport equation for the source density an expression has been derived for calculating reactivity values taking resonances in the core and in the sample into account. The model has been used for evaluating reactivities measured in the Rossendorf SEG IV configuration. It is shown that the influence of resonances in the core can be kept tolerable, if a sufficiently thick buffer zone of only slightly absorbing non-resonant material is arranged between the sample and the core. (author)
SM4MQ: A Semantic Model for Multidimensional Queries
DEFF Research Database (Denmark)
Varga, Jovan; Dobrokhotova, Ekaterina; Romero, Oscar
2017-01-01
On-Line Analytical Processing (OLAP) is a data analysis approach to support decision-making. On top of that, Exploratory OLAP is a novel initiative for the convergence of OLAP and the Semantic Web (SW) that enables the use of OLAP techniques on SW data. Moreover, OLAP approaches exploit different......, sharing, and reuse on the SW. As OLAP is based on the underlying multidimensional (MD) data model we denote such queries as MD queries and define SM4MQ: A Semantic Model for Multidimensional Queries. Furthermore, we propose a method to automate the exploitation of queries by means of SPARQL. We apply...
Modelling of multidimensional quantum systems by the numerical functional integration
International Nuclear Information System (INIS)
Lobanov, Yu.Yu.; Zhidkov, E.P.
1990-01-01
The employment of the numerical functional integration for the description of multidimensional systems in quantum and statistical physics is considered. For the multiple functional integrals with respect to Gaussian measures in the full separable metric spaces the new approximation formulas exact on a class of polynomial functionals of a given summary degree are constructed. The use of the formulas is demonstrated on example of computation of the Green function and the ground state energy in multidimensional Calogero model. 15 refs.; 2 tabs
Assessment of reactivity devices for CANDU-6 with DUPIC fuel
International Nuclear Information System (INIS)
Jeong, Chang Joon; Choi, Hang Bok
1998-01-01
Reactivity device characteristics for a CANDU-6 reactor loaded with DUPIC fuel have been assessed. A transport code WIMS-AECL and a three-dimensional diffusion code RFSP were used for the lattice parameter generation and the core calculation, respectively. Three major reactivity devices have been assessed for their inherent functions. For the zone controller system, damping capability for spatial oscillation was investigated. The restart capability of the adjuster system was investigated. The shim operation and power stepback calculation were also performed to confirm the compatibility of the current adjuster rod system. The mechanical control absorber was assessed for the capability to compensate the temperature reactivity feedback following a power reduction. This study has shown that the current reactivity device systems retain their functions when used in a DUPIC fuel CANDU reactor
Mallants, Dirk; Simunek, Jirka; Gerke, Kirill
2015-04-01
Coal Seam Gas production generates large volumes of "produced" water that may contain compounds originating from the use of hydraulic fracturing fluids. Such produced water also contains elevated concentrations of naturally occurring inorganic and organic compounds, and usually has a high salinity. Leaching of produced water from storage ponds may occur as a result of flooding or containment failure. Some produced water is used for irrigation of specific crops tolerant to elevated salt levels. These chemicals may potentially contaminate soil, shallow groundwater, and groundwater, as well as receiving surface waters. This paper presents an application of scenario modelling using the reactive transport model for variably-saturated media HP1 (coupled HYDRUS-1D and PHREEQC). We evaluate the fate of hydraulic fracturing chemicals and naturally occurring chemicals in soil as a result of unintentional release from storage ponds or when produced water from Coal Seam Gas operations is used in irrigation practices. We present a review of exposure pathways and relevant hydro-bio-geo-chemical processes, a collation of physico-chemical properties of organic/inorganic contaminants as input to a set of generic simulations of transport and attenuation in variably saturated soil profiles. We demonstrate the ability to model the coupled processes of flow and transport in soil of contaminants associated with hydraulic fracturing fluids and naturally occurring contaminants.
Mohanty, Sanjay K; Agrawal, Nand Kishor; Mahapatra, Bidhubhusan; Choudhury, Dhrupad; Tuladhar, Sabarnee; Holmgren, E Valdemar
2017-01-18
Economic burden to households due to out-of-pocket expenditure (OOPE) is large in many Asian countries. Though studies suggest increasing household poverty due to high OOPE in developing countries, studies on association of multidimensional poverty and household health spending is limited. This paper tests the hypothesis that the multidimensionally poor are more likely to incur catastrophic health spending cutting across countries. Data from the Poverty and Vulnerability Assessment (PVA) Survey carried out by the International Center for Integrated Mountain Development (ICIMOD) has been used in the analyses. The PVA survey was a comprehensive household survey that covered the mountainous regions of India, Nepal and Myanmar. A total of 2647 households from India, 2310 households in Nepal and 4290 households in Myanmar covered under the PVA survey. Poverty is measured in a multidimensional framework by including the dimensions of education, income and energy, water and sanitation using the Alkire and Foster method. Health shock is measured using the frequency of illness, family sickness and death of any family member in a reference period of one year. Catastrophic health expenditure is defined as 40% above the household's capacity to pay. Results suggest that about three-fifths of the population in Myanmar, two-fifths of the population in Nepal and one-third of the population in India are multidimensionally poor. About 47% of the multidimensionally poor in India had incurred catastrophic health spending compared to 35% of the multidimensionally non-poor and the pattern was similar in both Nepal and Myanmar. The odds of incurring catastrophic health spending was 56% more among the multidimensionally poor than among the multidimensionally non-poor [95% CI: 1.35-1.76]. While health shocks to households are consistently significant predictors of catastrophic health spending cutting across country of residence, the educational attainment of the head of the household is
Quantum and Multidimensional Explanations in a Neurobiological Context of Mind.
Korf, Jakob
2015-08-01
This article examines the possible relevance of physical-mathematical multidimensional or quantum concepts aiming at understanding the (human) mind in a neurobiological context. Some typical features of the quantum and multidimensional concepts are briefly introduced, including entanglement, superposition, holonomic, and quantum field theories. Next, we consider neurobiological principles, such as the brain and its emerging (physical) mind, evolutionary and ontological origins, entropy, syntropy/neg-entropy, causation, and brain energy metabolism. In many biological processes, including biochemical conversions, protein folding, and sensory perception, the ubiquitous involvement of quantum mechanisms is well recognized. Quantum and multidimensional approaches might be expected to help describe and model both brain and mental processes, but an understanding of their direct involvement in mental activity, that is, without mediation by molecular processes, remains elusive. More work has to be done to bridge the gap between current neurobiological and physical-mathematical concepts with their associated quantum-mind theories. © The Author(s) 2014.
Zhang, Hubao; Schwartz, Frank W.; Wood, Warren W.; Garabedian, S.P.; LeBlanc, D.R.
1998-01-01
A multispecies numerical code was developed to simulate flow and mass transport with kinetic adsorption in variable-density flow systems. The two-dimensional code simulated the transport of bromide (Br−), a nonreactive tracer, and lithium (Li+), a reactive tracer, in a large-scale tracer test performed in a sand-and-gravel aquifer at Cape Cod, Massachusetts. A two-fraction kinetic adsorption model was implemented to simulate the interaction of Li+ with the aquifer solids. Initial estimates for some of the transport parameters were obtained from a nonlinear least squares curve-fitting procedure, where the breakthrough curves from column experiments were matched with one-dimensional theoretical models. The numerical code successfully simulated the basic characteristics of the two plumes in the tracer test. At early times the centers of mass of Br− and Li+ sank because the two plumes were closely coupled to the density-driven velocity field. At later times the rate of downward movement in the Br− plume due to gravity slowed significantly because of dilution by dispersion. The downward movement of the Li+ plume was negligible because the two plumes moved in locally different velocity regimes, where Li+ transport was retarded relative to Br−. The maximum extent of downward transport of the Li+ plume was less than that of the Br− plume. This study also found that at early times the downward movement of a plume created by a three-dimensional source could be much more extensive than the case with a two-dimensional source having the same cross-sectional area. The observed shape of the Br− plume at Cape Cod was simulated by adding two layers with different hydraulic conductivities at shallow depth across the region. The large dispersion and asymmetrical shape of the Li+ plume were simulated by including kinetic adsorption-desorption reactions.
Almost-sure identifiability of multidimensional harmonic retrieval
Jiang, T; Sidiropoulos, ND; ten Berge, JMF
Two-dimensional (2-D) and, more generally, multidimensional harmonic retrieval is of interest in a variety of applications, including transmitter localization and joint time and frequency offset estimation in wireless communications. The associated identifiability problem is key in understanding the
Markets in real electric networks require reactive prices
International Nuclear Information System (INIS)
Hogan, W.W.
1996-01-01
Extending earlier seminal work, the author finds that locational spot price differences in an electric network provide the natural measure of the appropriate internodal transport charge. However, the problem of loop flow requires different economic intuition for interpreting the implications of spot pricing. The Direct Current model, which is the usual approximation for estimating spot prices, ignores reactive power effects; this approximation is best when thermal constraints create network congestion. However, when voltage constraints are problematic, the DC Load model is insufficient; a full AC Model is required to determine both real and reactive spot prices. 16 figs., 3 tabs., 22 refs
Directory of Open Access Journals (Sweden)
Alexis Cedeño Trujillo
2006-04-01
Full Text Available
Data Warehousing, es una tecnología para el almacenamiento de grandes volúmenes de datos en una amplia perspectiva de tiempo para el soporte a la toma de decisiones. Debido a su orientación analítica, impone un procesamiento distinto al de los sistemas operacionales y requiere de un diseño de base de datos más cercano a la visión de los usuarios finales, permitiendo que sea más fácil la recuperación de información y la navegación. Este diseño de base de datos se conoce como modelo multidimensional, este artículo, abordará sus características principales.
Sivasankar, P; Rajesh Kanna, A; Suresh Kumar, G; Gummadi, Sathyanarayana N
2016-07-01
pH and resident time of injected slug plays a critical role in characterizing the reservoir for potential microbial enhanced oil recovery (MEOR) application. To investigate MEOR processes, a multispecies (microbes-nutrients) reactive transport model in porous media was developed by coupling kinetic and transport model. The present work differs from earlier works by explicitly determining parametric values required for kinetic model by experimental investigations using Pseudomonas putida at different pH conditions and subsequently performing sensitivity analysis of pH, resident time and water saturation on concentrations of microbes, nutrients and biosurfactant within reservoir. The results suggest that nutrient utilization and biosurfactant production are found to be maximum at pH 8 and 7.5 respectively. It is also found that the sucrose and biosurfactant concentrations are highly sensitive to pH rather than reservoir microbial concentration, while at larger resident time and water saturation, the microbial and nutrient concentrations were lesser due to enhanced dispersion. Copyright © 2016 Elsevier Ltd. All rights reserved.
Coupled models in porous media: reactive transport and fractures
International Nuclear Information System (INIS)
Amir, L.
2008-12-01
This thesis deals with numerical simulation of coupled models for flow and transport in porous media. We present a new method for coupling chemical reactions and transport by using a Newton-Krylov method, and we also present a model of flow in fractured media, based on a domain decomposition method that takes into account the case of intersecting fractures. This study is composed of three parts: the first part contains an analysis, and implementation, of various numerical methods for discretizing advection-diffusion problems, in particular by using operator splitting methods. The second part is concerned with a fully coupled method for modeling transport and chemistry problems. The coupled transport-chemistry model is described, after discretization in time, by a system of nonlinear equations. The size of the system, namely the number of grid points times the number a chemical species, precludes a direct solution of the linear system. To alleviate this difficulty, we solve the system by a Newton-Krylov method, so as to avoid forming and factoring the Jacobian matrix. In the last part, we present a model of flow in 3D for intersecting fractures, by using a domain decomposition method. The fractures are treated as interfaces between sub-domains. We show existence and uniqueness of the solution, and we validate the model by numerical tests. (author)
DEFF Research Database (Denmark)
Arndt, Channing; Mahrt, Kristi; Hussain, Azhar
2017-01-01
is in reality inconsistent with the Universal Declaration of Human Rights principles of indivisibility, inalienability, and equality. We show that a first-order dominance methodology maintains consistency with basic principles, discuss the properties of the multidimensional poverty index and first......The rights-based approach to development targets progress towards the realization of 30 articles set forth in the Universal Declaration of Human Rights. Progress is frequently measured using the multidimensional poverty index. While elegant and useful, the multidimensional poverty index...
MULTIDIMENSIONAL MODELING OF CORONAL RAIN DYNAMICS
Energy Technology Data Exchange (ETDEWEB)
Fang, X.; Xia, C.; Keppens, R. [Centre for mathematical Plasma Astrophysics, Department of Mathematics, KU Leuven, B-3001 Leuven (Belgium)
2013-07-10
We present the first multidimensional, magnetohydrodynamic simulations that capture the initial formation and long-term sustainment of the enigmatic coronal rain phenomenon. We demonstrate how thermal instability can induce a spectacular display of in situ forming blob-like condensations which then start their intimate ballet on top of initially linear force-free arcades. Our magnetic arcades host a chromospheric, transition region, and coronal plasma. Following coronal rain dynamics for over 80 minutes of physical time, we collect enough statistics to quantify blob widths, lengths, velocity distributions, and other characteristics which directly match modern observational knowledge. Our virtual coronal rain displays the deformation of blobs into V-shaped features, interactions of blobs due to mostly pressure-mediated levitations, and gives the first views of blobs that evaporate in situ or are siphoned over the apex of the background arcade. Our simulations pave the way for systematic surveys of coronal rain showers in true multidimensional settings to connect parameterized heating prescriptions with rain statistics, ultimately allowing us to quantify the coronal heating input.
MULTIDIMENSIONAL MODELING OF CORONAL RAIN DYNAMICS
International Nuclear Information System (INIS)
Fang, X.; Xia, C.; Keppens, R.
2013-01-01
We present the first multidimensional, magnetohydrodynamic simulations that capture the initial formation and long-term sustainment of the enigmatic coronal rain phenomenon. We demonstrate how thermal instability can induce a spectacular display of in situ forming blob-like condensations which then start their intimate ballet on top of initially linear force-free arcades. Our magnetic arcades host a chromospheric, transition region, and coronal plasma. Following coronal rain dynamics for over 80 minutes of physical time, we collect enough statistics to quantify blob widths, lengths, velocity distributions, and other characteristics which directly match modern observational knowledge. Our virtual coronal rain displays the deformation of blobs into V-shaped features, interactions of blobs due to mostly pressure-mediated levitations, and gives the first views of blobs that evaporate in situ or are siphoned over the apex of the background arcade. Our simulations pave the way for systematic surveys of coronal rain showers in true multidimensional settings to connect parameterized heating prescriptions with rain statistics, ultimately allowing us to quantify the coronal heating input.
A Multidimensional Theory of Suicide.
Leenaars, Antoon A; Dieserud, Gudrun; Wenckstern, Susanne; Dyregrov, Kari; Lester, David; Lyke, Jennifer
2018-04-05
Theory is the foundation of science; this is true in suicidology. Over decades of studies of suicide notes, Leenaars developed a multidimensional model of suicide, with international (crosscultural) studies and independent verification. To corroborate Leenaars's theory with a psychological autopsy (PA) study, examining age and sex of the decedent, and survivor's relationship to deceased. A PA study in Norway, with 120 survivors/informants was undertaken. Leenaars' theoretical-conceptual (protocol) analysis was undertaken of the survivors' narratives and in-depth interviews combined. Substantial interjudge reliability was noted (κ = .632). Overall, there was considerable confirmatory evidence of Leenaars's intrapsychic and interpersonal factors in suicide survivors' narratives. Differences were found in the age of the decedent, but not in sex, nor in the survivor's closeness of the relationship. Older deceased people were perceived to exhibit more heightened unbearable intrapsychic pain, associated with the suicide. Leenaars's theory has corroborative verification, through the decedents' suicide notes and the survivors' narratives. However, the multidimensional model needs further testing to develop a better evidence-based way of understanding suicide.
LaNoue, Marianna; Harvey, Abby; Mautner, Dawn; Ku, Bon; Scott, Kevin
2015-07-01
The factor structure of the Multidimensional Health Locus of Control scale remains in question. Additionally, research on health belief differences between Black and White respondents suggests that the Multidimensional Health Locus of Control scale may not be invariant. We reviewed the literature regarding the latent variable structure of the Multidimensional Health Locus of Control scale, used confirmatory factor analysis to confirm the three-factor structure of the Multidimensional Health Locus of Control, and analyzed between-group differences in the Multidimensional Health Locus of Control structure and means across Black and White respondents. Our results indicate differences in means and structure, indicating more research is needed to inform decisions regarding whether and how to deploy the Multidimensional Health Locus of Control appropriately.
Development and Validation of Multi-Dimensional Personality ...
African Journals Online (AJOL)
This study was carried out to establish the scientific processes for the development and validation of Multi-dimensional Personality Inventory (MPI). The process of development and validation occurred in three phases with five components of Agreeableness, Conscientiousness, Emotional stability, Extroversion, and ...
Analysis of Multidimensional Poverty: Theory and Case Studies ...
International Development Research Centre (IDRC) Digital Library (Canada)
2009-08-18
Aug 18, 2009 ... ... of applying a factorial technique, Multiple Correspondence Analysis, to poverty analysis. ... Analysis of Multidimensional Poverty: Theory and Case Studies ... agreement to support joint research projects in December 2017.
Translation and Validation of the Multidimensional Dyspnea-12 Questionnaire.
Amado Diago, Carlos Antonio; Puente Maestu, Luis; Abascal Bolado, Beatriz; Agüero Calvo, Juan; Hernando Hernando, Mercedes; Puente Bats, Irene; Agüero Balbín, Ramón
2018-02-01
Dyspnea is a multidimensional symptom, but this multidimensionality is not considered in most dyspnea questionnaires. The Dyspnea-12 takes a multidimensional approach to the assessment of dyspnea, specifically the sensory and the affective response. The objective of this study was to translate into Spanish and validate the Dyspnea-12 questionnaire. The original English version of the Dyspnea-12 questionnaire was translated into Spanish and backtranslated to analyze its equivalence. Comprehension of the text was verified by analyzing the responses of 10 patients. Reliability and validation of the questionnaire were studied in an independent group of COPD patients attending the pulmonology clinics of Hospital Universitario Marqués de Valdecilla, diagnosed and categorized according to GOLD guidelines. The mean age of the group (n=51) was 65 years and mean FEV1 was 50%. All patients understood all questions of the translated version of Dyspnea-12. Internal consistency of the questionnaire was α=0.937 and intraclass correlation coefficient was=.969; P<.001. Statistically significant correlations were found with HADS (anxiety r=.608 and depression r=.615), mMRC dyspnea (r=.592), 6MWT (r=-0.445), FEV1 (r=-0.312), all dimensions of CRQ-SAS (dyspnea r=-0.626; fatigue r=-0.718; emotional function r=-0.663; mastery r=-0.740), CAT (r=0.669), and baseline dyspnea index (r=-0.615). Dyspnea-12 scores were 10.32 points higher in symptomatic GOLD groups (B and D) (P<.001). The Spanish version of Dyspnea-12 is a valid and reliable instrument to study the multidimensional nature of dyspnea. Copyright © 2017 SEPAR. Publicado por Elsevier España, S.L.U. All rights reserved.
Paardekooper, S.-J.
2017-08-01
We present a new method for numerical hydrodynamics which uses a multidimensional generalization of the Roe solver and operates on an unstructured triangular mesh. The main advantage over traditional methods based on Riemann solvers, which commonly use one-dimensional flux estimates as building blocks for a multidimensional integration, is its inherently multidimensional nature, and as a consequence its ability to recognize multidimensional stationary states that are not hydrostatic. A second novelty is the focus on graphics processing units (GPUs). By tailoring the algorithms specifically to GPUs, we are able to get speedups of 100-250 compared to a desktop machine. We compare the multidimensional upwind scheme to a traditional, dimensionally split implementation of the Roe solver on several test problems, and we find that the new method significantly outperforms the Roe solver in almost all cases. This comes with increased computational costs per time-step, which makes the new method approximately a factor of 2 slower than a dimensionally split scheme acting on a structured grid.
Mapoma, Harold Wilson Tumwitike; Xie, Xianjun; Pi, Kunfu; Liu, Yaqing; Zhu, Yapeng
2016-03-01
This paper discusses the reactive transport and evolution of arsenic along a selected flow path in a study plot within the central part of Datong basin. The simulation used the TOUGHREACT code. The spatial and temporal trends in hydrochemistry and mineral volume fraction along a flow path were observed. Furthermore, initial simulation of major ions and pH fits closely to the measured data. The study shows that equilibrium conditions may be attained at different stress periods for each parameter simulated. It is noted that the variations in ionic chemistry have a greater impact on arsenic distribution while reducing conditions drive the mobilization of arsenic. The study concluded that the reduction of Fe(iii) and As(v) and probably SO4/HS cycling are significant factors affecting localized mobilization of arsenic. Besides cation exchange and water-rock interaction, incongruent dissolution of silicates is also a significant control mechanism of general chemistry of the Datong basin aquifer.
Nitzsche, O.; Merkel, B.
Knowledge of the transport behavior of radionuclides in groundwater is needed for both groundwater protection and remediation of abandoned uranium mines and milling sites. Dispersion, diffusion, mixing, recharge to the aquifer, and chemical interactions, as well as radioactive decay, should be taken into account to obtain reliable predictions on transport of primordial nuclides in groundwater. This paper demonstrates the need for carrying out rehabilitation strategies before closure of the Königstein in-situ leaching uranium mine near Dresden, Germany. Column experiments on drilling cores with uranium-enriched tap water provided data about the exchange behavior of uranium. Uranium breakthrough was observed after more than 20 pore volumes. This strong retardation is due to the exchange of positively charged uranium ions. The code TReAC is a 1-D, 2-D, and 3-D reactive transport code that was modified to take into account the radioactive decay of uranium and the most important daughter nuclides, and to include double-porosity flow. TReAC satisfactorily simulated the breakthrough curves of the column experiments and provided a first approximation of exchange parameters. Groundwater flow in the region of the Königstein mine was simulated using the FLOWPATH code. Reactive transport behavior was simulated with TReAC in one dimension along a 6000-m path line. Results show that uranium migration is relatively slow, but that due to decay of uranium, the concentration of radium along the flow path increases. Results are highly sensitive to the influence of double-porosity flow. Résumé La protection des eaux souterraines et la restauration des sites miniers et de prétraitement d'uranium abandonnés nécessitent de connaître le comportement des radionucléides au cours de leur transport dans les eaux souterraines. La dispersion, la diffusion, le mélange, la recharge de l'aquifère et les interactions chimiques, de même que la décroissance radioactive, doivent être
Kuesters, Tim; Mueller, Thomas; Renner, Joerg
2016-04-01
Reliably predicting the evolution of mechanical and chemical properties of reservoir rocks is crucial for efficient exploitation of enhanced geothermal systems (EGS). For example, dissolution and precipitation of individual rock forming minerals often result in significant volume changes, affecting the hydraulic rock properties and chemical composition of fluid and solid phases. Reactive transport models are typically used to evaluate and predict the effect of the internal feedback of these processes. However, a quantitative evaluation of chemo-mechanical interaction in polycrystalline environments is elusive due to poorly constrained kinetic data of complex mineral reactions. In addition, experimentally derived reaction rates are generally faster than reaction rates determined from natural systems, likely a consequence of the experimental design: a) determining the rate of a single process only, e.g. the dissolution of a mineral, and b) using powdered sample materials and thus providing an unrealistically high reaction surface and at the same time eliminating the restrictions on element transport faced in-situ for fairly dense rocks. In reality, multiple reactions are coupled during the alteration of a polymineralic rocks in the presence of a fluid and the rate determining process of the overall reactions is often difficult to identify. We present results of bulk rock-water interaction experiments quantifying alteration reactions between pure water and a granodiorite sample. The rock sample was chosen for its homogenous texture, small and uniform grain size (˜0.5 mm in diameter), and absence of pre-existing alteration features. The primary minerals are plagioclase (plg - 58 vol.%), quartz (qtz - 21 vol.%), K-feldspar (Kfs - 17 vol.%), biotite (bio - 3 vol.%) and white mica (wm - 1 vol.%). Three sets of batch experiments were conducted at 200 ° C to evaluate the effect of reactive surface area and different fluid path ways using (I) powders of the bulk rock with
Expanding the role of reactive transport models in critical zone processes
Li, Li; Maher, Kate; Navarre-Sitchler, Alexis; Druhan, Jennifer; Meile, Christof; Lawrence, Corey; Moore, Joel; Perdrial, Julia; Sullivan, Pamela; Thompson, Aaron; Jin, Lixin; Bolton, Edward W.; Brantley, Susan L.; Dietrich, William E.; Mayer, K. Ulrich; Steefel, Carl; Valocchi, Albert J.; Zachara, John M.; Kocar, Benjamin D.; McIntosh, Jennifer; Tutolo, Benjamin M.; Kumar, Mukesh; Sonnenthal, Eric; Bao, Chen; Beisman, Joe
2017-01-01
Models test our understanding of processes and can reach beyond the spatial and temporal scales of measurements. Multi-component Reactive Transport Models (RTMs), initially developed more than three decades ago, have been used extensively to explore the interactions of geothermal, hydrologic, geochemical, and geobiological processes in subsurface systems. Driven by extensive data sets now available from intensive measurement efforts, there is a pressing need to couple RTMs with other community models to explore non-linear interactions among the atmosphere, hydrosphere, biosphere, and geosphere. Here we briefly review the history of RTM development, summarize the current state of RTM approaches, and identify new research directions, opportunities, and infrastructure needs to broaden the use of RTMs. In particular, we envision the expanded use of RTMs in advancing process understanding in the Critical Zone, the veneer of the Earth that extends from the top of vegetation to the bottom of groundwater. We argue that, although parsimonious models are essential at larger scales, process-based models offer tools to explore the highly nonlinear coupling that characterizes natural systems. We present seven testable hypotheses that emphasize the unique capabilities of process-based RTMs for (1) elucidating chemical weathering and its physical and biogeochemical drivers; (2) understanding the interactions among roots, micro-organisms, carbon, water, and minerals in the rhizosphere; (3) assessing the effects of heterogeneity across spatial and temporal scales; and (4) integrating the vast quantity of novel data, including “omics” data (genomics, transcriptomics, proteomics, metabolomics), elemental concentration and speciation data, and isotope data into our understanding of complex earth surface systems. With strong support from data-driven sciences, we are now in an exciting era where integration of RTM framework into other community models will facilitate process
Lagrangian multiforms and multidimensional consistency
Energy Technology Data Exchange (ETDEWEB)
Lobb, Sarah; Nijhoff, Frank [Department of Applied Mathematics, University of Leeds, Leeds LS2 9JT (United Kingdom)
2009-10-30
We show that well-chosen Lagrangians for a class of two-dimensional integrable lattice equations obey a closure relation when embedded in a higher dimensional lattice. On the basis of this property we formulate a Lagrangian description for such systems in terms of Lagrangian multiforms. We discuss the connection of this formalism with the notion of multidimensional consistency, and the role of the lattice from the point of view of the relevant variational principle.
The 'thousand words' problem: Summarizing multi-dimensional data
International Nuclear Information System (INIS)
Scott, David M.
2011-01-01
Research highlights: → Sophisticated process sensors produce large multi-dimensional data sets. → Plant control systems cannot handle images or large amounts of data. → Various techniques reduce the dimensionality, extracting information from raw data. → Simple 1D and 2D methods can often be extended to 3D and 4D applications. - Abstract: An inherent difficulty in the application of multi-dimensional sensing to process monitoring and control is the extraction and interpretation of useful information. Ultimately the measured data must be collapsed into a relatively small number of values that capture the salient characteristics of the process. Although multiple dimensions are frequently necessary to isolate a particular physical attribute (such as the distribution of a particular chemical species in a reactor), plant control systems are not equipped to use such data directly. The production of a multi-dimensional data set (often displayed as an image) is not the final step of the measurement process, because information must still be extracted from the raw data. In the metaphor of one picture being equal to a thousand words, the problem becomes one of paraphrasing a lengthy description of the image with one or two well-chosen words. Various approaches to solving this problem are discussed using examples from the fields of particle characterization, image processing, and process tomography.
Multidimensional building objects in a Danish geo-information infrastructure perspective
DEFF Research Database (Denmark)
Schrøder, Lise
2002-01-01
The emerging multidimensional GI- and VR-technologies within the professional disciplines dealing with design, planning and management processes is leading to a demand for four-dimensional building objects as part of the public geo-information infrastructure. The other way around the recognition...... of the building as a four-dimensional geo-phenomenon will provide a reference between different data sets whether representing buildings in two, three or four dimensions. Finally a central issue is the potential in using frameworks of multidimensional representations as interfaces to the available data sets...
Transport perturbation theory in nuclear reactor analysis
International Nuclear Information System (INIS)
Nishigori, Takeo; Takeda, Toshikazu; Selvi, S.
1985-01-01
Perturbation theory is formulated on the basis of transport theory to obtain a formula for the reactivity changes due to possible variations of cross sections. Useful applications to cell homogenization are presented for the whole core calculation in transport and in diffusion theories. (author)
Angular interpolations and splice options for three-dimensional transport computations
International Nuclear Information System (INIS)
Abu-Shumays, I.K.; Yehnert, C.E.
1996-01-01
New, accurate and mathematically rigorous angular Interpolation strategies are presented. These strategies preserve flow and directionality separately over each octant of the unit sphere, and are based on a combination of spherical harmonics expansions and least squares algorithms. Details of a three-dimensional to three-dimensional (3-D to 3-D) splice method which utilizes the new angular interpolations are summarized. The method has been implemented in a multidimensional discrete ordinates transport computer program. Various features of the splice option are illustrated by several applications to a benchmark Dog-Legged Void Neutron (DLVN) streaming and transport experimental assembly
Benchmark calculations in multigroup and multidimensional time-dependent transport
International Nuclear Information System (INIS)
Ganapol, B.D.; Musso, E.; Ravetto, P.; Sumini, M.
1990-01-01
It is widely recognized that reliable benchmarks are essential in many technical fields in order to assess the response of any approximation to the physics of the problem to be treated and to verify the performance of the numerical methods used. The best possible benchmarks are analytical solutions to paradigmatic problems where no approximations are actually introduced and the only error encountered is connected to the limitations of computational algorithms. Another major advantage of analytical solutions is that they allow a deeper understanding of the physical features of the model, which is essential for the intelligent use of complicated codes. In neutron transport theory, the need for benchmarks is particularly great. In this paper, the authors propose to establish accurate numerical solutions to some problems concerning the migration of neutron pulses. Use will be made of the space asymptotic theory, coupled with a Laplace transformation inverted by a numerical technique directly evaluating the inversion integral
THE ISOTROPIC DIFFUSION SOURCE APPROXIMATION FOR SUPERNOVA NEUTRINO TRANSPORT
International Nuclear Information System (INIS)
Liebendoerfer, M.; Whitehouse, S. C.; Fischer, T.
2009-01-01
Astrophysical observations originate from matter that interacts with radiation or transported particles. We develop a pragmatic approximation in order to enable multidimensional simulations with basic spectral radiative transfer when the available computational resources are not sufficient to solve the complete Boltzmann transport equation. The distribution function of the transported particles is decomposed into a trapped particle component and a streaming particle component. Their separate evolution equations are coupled by a source term that converts trapped particles into streaming particles. We determine this source term by requiring the correct diffusion limit for the evolution of the trapped particle component. For a smooth transition to the free streaming regime, this 'diffusion source' is limited by the matter emissivity. The resulting streaming particle emission rates are integrated over space to obtain the streaming particle flux. Finally, a geometric estimate of the flux factor is used to convert the particle flux to the streaming particle density, which enters the evaluation of streaming particle-matter interactions. The efficiency of the scheme results from the freedom to use different approximations for each particle component. In supernovae, for example, reactions with trapped particles on fast timescales establish equilibria that reduce the number of primitive variables required to evolve the trapped particle component. On the other hand, a stationary-state approximation considerably facilitates the treatment of the streaming particle component. Different approximations may apply in applications to stellar atmospheres, star formation, or cosmological radiative transfer. We compare the isotropic diffusion source approximation with Boltzmann neutrino transport of electron flavor neutrinos in spherically symmetric supernova models and find good agreement. An extension of the scheme to the multidimensional case is also discussed.
Rafferty, Connor S.; Biegel, Bryan A.; Yu, Zhi-Ping; Ancona, Mario G.; Bude, J.; Dutton, Robert W.; Saini, Subhash (Technical Monitor)
1998-01-01
A density-gradient (DG) model is used to calculate quantum-mechanical corrections to classical carrier transport in MOS (Metal Oxide Semiconductor) inversion/accumulation layers. The model is compared to measured data and to a fully self-consistent coupled Schrodinger and Poisson equation (SCSP) solver. Good agreement is demonstrated for MOS capacitors with gate oxide as thin as 21 A. It is then applied to study carrier distribution in ultra short MOSFETs (Metal Oxide Semiconductor Field Effect Transistor) with surface roughness. This work represents the first implementation of the DG formulation on multidimensional unstructured meshes. It was enabled by a powerful scripting approach which provides an easy-to-use and flexible framework for solving the fourth-order PDEs (Partial Differential Equation) of the DG model.
International Nuclear Information System (INIS)
Yabusaki, Steven B.; Fang, Yilin; Waichler, Scott R.
2008-01-01
Subsurface simulation is being used to build, test, and couple conceptual process models to better understand controls on a 0.4 km by 1.0 km uranium plume that has persisted above the drinking water standard in the groundwater of the Hanford 300 Area over the last 15 years. At this site, uranium-contaminated sediments in the vadose zone and aquifer are subject to significant variations in water levels and velocities driven by the diurnal, weekly, seasonal, and episodic Columbia River stage dynamics. Groundwater flow reversals typically occur twice a day with significant exchange of river water and groundwater in the near-river aquifer. Mixing of the dilute solution chemistry of the river with the groundwater complicates the uranium sorption behavior as the mobility of U(VI) has been shown experimentally to be a function of pH, carbonate, calcium, and uranium. Furthermore, uranium mass transfer between solid and aqueous phases has been observed to be rate-limited in the context of the high groundwater velocities resulting from the river stage fluctuations and the highly transmissive sediments (hydraulic conductivities ∼1500 m/d). One- and two-dimensional vertical cross-sectional simulations of variably-saturated flow and reactive transport, based on laboratory-derived models of distributed rate mass transfer and equilibrium multicomponent surface complexation, are used to assess uranium transport at the dynamic vadose zone aquifer interface as well as changes to uranium mobility due to incursions of river water into the aquifer
Nested element method in multidimensional neutron diffusion calculations
International Nuclear Information System (INIS)
Altiparmakov, D.V.
1983-01-01
A new numerical method is developed that is particularly efficient in solving the multidimensional neutron diffusion equation in geometrically complex systems. The needs for a generally applicable and fast running computer code have stimulated the inroad of a nonclassical (R-function) numerical method into the nuclear field. By using the R-functions, the geometrical components of the diffusion problem are a priori analytically implemented into the approximate solution. The class of functions, to which the approximate solution belongs, is chosen as close to the exact solution class as practically acceptable from the time consumption point of view. That implies a drastic reduction of the number of degrees of freedom, compared to the other methods. Furthermore, the reduced number of degrees of freedom enables calculation of large multidimensional problems on small computers
Optimal multi-dimensional poverty lines: The state of poverty in Iraq
Ameen, Jamal R. M.
2017-09-01
Poverty estimation based on calories intake is unrealistic. The established concept of multidimensional poverty has methodological weaknesses in the treatment of different dimensions and there is disagreement in methods of combining them into a single poverty line. This paper introduces a methodology to estimate optimal multidimensional poverty lines and uses the Iraqi household socio-economic survey data of 2012 to demonstrate the idea. The optimal poverty line for Iraq is found to be 170.5 Thousand Iraqi Dinars (TID).
Multidimensional Screening as a Pharmacology Laboratory Experience.
Malone, Marvin H.; And Others
1979-01-01
A multidimensional pharmacodynamic screening experiment that addresses drug interaction is included in the pharmacology-toxicology laboratory experience of pharmacy students at the University of the Pacific. The student handout with directions for the procedure is reproduced, drug compounds tested are listed, and laboratory evaluation results are…
International Nuclear Information System (INIS)
Suzuki, Shunichi; Motoshima, Takayuki; Naemura, Yumi; Kubo, Shin; Kanie, Shunji
2009-01-01
The authors develop a numerical code based on Local Discontinuous Galerkin Method for transient groundwater flow and reactive solute transport problems in order to make it possible to do three dimensional performance assessment on radioactive waste repositories at the earliest stage possible. Local discontinuous Galerkin Method is one of mixed finite element methods which are more accurate ones than standard finite element methods. In this paper, the developed numerical code is applied to several problems which are provided analytical solutions in order to examine its accuracy and flexibility. The results of the simulations show the new code gives highly accurate numeric solutions. (author)
Unsaturated transport of inorganic cations in undisturbed soil columns
International Nuclear Information System (INIS)
Jardine, P.M.; Jacobs, G.K.
1990-01-01
The unsaturated transport of Sr, Co, and Ca were studied in undisturbed soil columns (14 x 40 cm) of saprolitic shale to evaluate the significance of time dependent mass transfer and multispecies competitive exchange during transport. Observed breakthrough curves (BTCs) for Sr and Co were delayed relative to nonreactive Br BTC indicating that the former tracers were adsorbed by the soil. Effluent concentrations of Sr and Co were modeled with the classical convective dispersive (CD) equation and nonequilibrium mass transfer considerations did not appear necessary. Cation exchange equilibria relationships obtained from both shake batch and miscible displacement methods adequately described the thermodynamic processes which were prevalent during transport. These results suggest that the preferential transport of a reactive tracer is negligible for the realistic unsaturated conditions used in the study, and that the massive saprolite within the soil is a chemically active constituent during transport of reactive solutes. The implications of these findings for modeling in-situ subsurface contaminant transport are discussed. 7 refs., 9 figs
Mixing induced reactive transport in fractured crystalline rocks
International Nuclear Information System (INIS)
Martinez-Landa, Lurdes; Carrera, Jesus; Dentz, Marco; Fernàndez-Garcia, Daniel; Nardí, Albert; Saaltink, Maarten W.
2012-01-01
In this paper the solute retention properties of crystalline fractured rocks due to mixing-induced geochemical reactions are studied. While fractured media exhibit paths of fast flow and transport and thus short residence times for conservative solutes, at the same time they promote mixing and dilution due to strong heterogeneity, which leads to sharp concentration contrasts. Enhanced mixing and dilution have a double effect that favors crystalline fractured media as a possible host medium for nuclear waste disposal. Firstly, peak radionuclide concentrations are attenuated and, secondly, mixing-induced precipitation reactions are enhanced significantly, which leads to radionuclide immobilization. An integrated framework is presented for the effective modeling of these flow, transport and reaction phenomena, and the interaction between them. In a simple case study, the enhanced dilution and precipitation potential of fractured crystalline rocks are systematically studied and quantified and contrasted it to retention and attenuation in an equivalent homogeneous formation.
Multi-phase reactive transport theory
International Nuclear Information System (INIS)
Lichtner, P.C.
1995-07-01
Physicochemical processes in the near-field region of a high-level waste repository may involve a diverse set of phenomena including flow of liquid and gas, gaseous diffusion, and chemical reaction of the host rock with aqueous solutions at elevated temperatures. This report develops some of the formalism for describing simultaneous multicomponent solute and heat transport in a two-phase system for partially saturated porous media. Diffusion of gaseous species is described using the Dusty Gas Model which provides for simultaneous Knudsen and Fickian diffusion in addition to Darcy flow. A new form of the Dusty Gas Model equations is derived for binary diffusion which separates the total diffusive flux into segregative and nonsegregative components. Migration of a wetting front is analyzed using the quasi-stationary state approximation to the Richards' equation. Heat-pipe phenomena are investigated for both gravity- and capillary-driven reflux of liquid water. An expression for the burnout permeability is derived for a gravity-driven heat-pipe. Finally an estimate is given for the change in porosity and permeability due to mineral dissolution which could occur in the region of condensate formation in a heat-pipe
Multidimensional Learner Model In Intelligent Learning System
Deliyska, B.; Rozeva, A.
2009-11-01
The learner model in an intelligent learning system (ILS) has to ensure the personalization (individualization) and the adaptability of e-learning in an online learner-centered environment. ILS is a distributed e-learning system whose modules can be independent and located in different nodes (servers) on the Web. This kind of e-learning is achieved through the resources of the Semantic Web and is designed and developed around a course, group of courses or specialty. An essential part of ILS is learner model database which contains structured data about learner profile and temporal status in the learning process of one or more courses. In the paper a learner model position in ILS is considered and a relational database is designed from learner's domain ontology. Multidimensional modeling agent for the source database is designed and resultant learner data cube is presented. Agent's modules are proposed with corresponding algorithms and procedures. Multidimensional (OLAP) analysis guidelines on the resultant learner module for designing dynamic learning strategy have been highlighted.
A PCA-Based Change Detection Framework for Multidimensional Data Streams
Qahtan, Abdulhakim Ali Ali
2015-08-10
Detecting changes in multidimensional data streams is an important and challenging task. In unsupervised change detection, changes are usually detected by comparing the distribution in a current (test) window with a reference window. It is thus essential to design divergence metrics and density estimators for comparing the data distributions, which are mostly done for univariate data. Detecting changes in multidimensional data streams brings difficulties to the density estimation and comparisons. In this paper, we propose a framework for detecting changes in multidimensional data streams based on principal component analysis, which is used for projecting data into a lower dimensional space, thus facilitating density estimation and change-score calculations. The proposed framework also has advantages over existing approaches by reducing computational costs with an efficient density estimator, promoting the change-score calculation by introducing effective divergence metrics, and by minimizing the efforts required from users on the threshold parameter setting by using the Page-Hinkley test. The evaluation results on synthetic and real data show that our framework outperforms two baseline methods in terms of both detection accuracy and computational costs.
Multidimensionality of thinking in the context of creativity studies.
Directory of Open Access Journals (Sweden)
Belolutskaya A.K.
2015-03-01
Full Text Available This article describes the theoretical difference between the flexibility and the multidimensionality of thinking. Multidimensionality is discussed as a characteristic of thinking that is necessary for exploration of the variability of structural transformations of problematic situations. The objective of the study was to examine a number of theories concerning the correlative connection between the multidimensionality of thinking and other characteristics of creative, productive thinking: the flexibility of thinking; the formation of an operation of dialectical thinking such as “mediation”; the ability of a person to use a scheme as an abstraction for analysis of various specific content. A total of 85 people participated in the study: they were 15 to 17 years old, students at a senior school in Kaliningradskaya oblast, winners of different stages of the all-Russian academic competition in physics, chemistry, and mathematics. All respondents had a high level of academic success and of general intelligence. The following techniques were used in this study: (1 my technique for diagnostics of the multidimensionality of thinking; (2 my technique of “schemes and paintings,” designed for diagnostics of the ability to relate abstract schemes and various specific content; (3 the Torrance Tests of Creative Thinking (verbal battery; (4 a diagnostic technique for dialectical thinking: “What can be simultaneous?” All the hypotheses were confirmed. Confirmation was received of the existence of a correlation connection; this finding counts in favor of the assumption that the parameters of thinking my colleagues and I were working with can in aggregate be considered an integral characteristic of human thinking. It allows us to distinguish significant features of a situation from secondary ones—that is, to see a substantial contradiction and to propose several options for its transformation.
Cuba: Multidimensional numerical integration library
Hahn, Thomas
2016-08-01
The Cuba library offers four independent routines for multidimensional numerical integration: Vegas, Suave, Divonne, and Cuhre. The four algorithms work by very different methods, and can integrate vector integrands and have very similar Fortran, C/C++, and Mathematica interfaces. Their invocation is very similar, making it easy to cross-check by substituting one method by another. For further safeguarding, the output is supplemented by a chi-square probability which quantifies the reliability of the error estimate.
Measurements of total OH reactivity during PROPHET-AMOS 2016
Rickly, P.; Sakowski, J.; Bottorff, B.; Lew, M.; Stevens, P. S.; Sklaveniti, S.; Locoge, N.; Dusanter, S.
2017-12-01
As one of the main oxidant in the atmosphere, the hydroxyl radical (OH) initiates the oxidation of volatile organic compounds that can lead to the formation of ozone and secondary organic aerosols. Understanding both the sources and sinks of OH is therefore important to address issues related to air quality and climate change. Measurements of total OH reactivity can provide an important test of our understanding of the OH radical budget. Recent measurements of total reactivity in many environments have been greater than calculated based on the measured concentration of VOCs, suggesting that important OH sinks in these environments are not well characterized. Measurements of total OH reactivity were performed in a forested environment during the PROPHET - AMOS field campaign (Program for Research on Oxidants: PHotochemisty, Emissions, and Transport - Atmospheric Measurements of Oxidants in Summer) using the Comparative Reactivity Method (CRM) and the Total OH Loss Rate Method (TOHLM). The site is characterized by large emissions of isoprene and monoterpenes and low anthropogenic influence. Measurements of total OH reactivity using these two techniques agree to within their respective uncertainties, giving confidence in the measured OH reactivity. In addition, measurements of trace gases (VOCs, NOx, O3) were used to perform a comprehensive apportionment of OH sinks. These measurements are used in a chemical model using the Master Chemical Mechanism to calculate the expected OH reactivity. The results will be compared to previous measurements of total OH reactivity at this site.
[Multidimensional family therapy: which influences, which specificities?].
Bonnaire, C; Bastard, N; Couteron, J-P; Har, A; Phan, O
2014-10-01
Among illegal psycho-active drugs, cannabis is the most consumed by French adolescents. Multidimensional family therapy (MDFT) is a family-based outpatient therapy which has been developed for adolescents with drug and behavioral problems. MDFT has shown its effectiveness in adolescents with substance abuse disorders (notably cannabis abuse) not only in the United States but also in Europe (International Cannabis Need of Treatment project). MDFT is a multidisciplinary approach and an evidence-based treatment, at the crossroads of developmental psychology, ecological theories and family therapy. Its psychotherapeutic techniques find its roots in a variety of approaches which include systemic family therapy and cognitive therapy. The aims of this paper are: to describe all the backgrounds of MDFT by highlighting its characteristics; to explain how structural and strategy therapies have influenced this approach; to explore the links between MDFT, brief strategic family therapy and multi systemic family therapy; and to underline the specificities of this family therapy method. The multidimensional family therapy was created on the bases of 1) the integration of multiple therapeutic techniques stemming from various family therapy theories; and 2) studies which have shown family therapy efficiency. Several trials have shown a better efficiency of MDFT compared to group treatment, cognitive-behavioral therapy and home-based treatment. Studies have also highlighted that MDFT led to superior treatment outcomes, especially among young people with severe drug use and psychiatric co-morbidities. In the field of systemic family therapies, MDFT was influenced by: 1) the structural family therapy (S. Minuchin), 2) the strategic family theory (J. Haley), and 3) the intergenerational family therapy (Bowen and Boszormenyi-Nagy). MDFT has specific aspects: MDFT therapists think in a multidimensional perspective (because an adolescent's drug abuse is a multidimensional disorder), they
Intrinsic photocatalytic assessment of reactively sputtered TiO₂ films.
Rafieian, Damon; Driessen, Rick T; Ogieglo, Wojciech; Lammertink, Rob G H
2015-04-29
Thin TiO2 films were prepared by DC magnetron reactive sputtering at different oxygen partial pressures. Depending on the oxygen partial pressure during sputtering, a transition from metallic Ti to TiO2 was identified by spectroscopic ellipsometry. The crystalline nature of the film developed during a subsequent annealing step, resulting in thin anatase TiO2 layers, displaying photocatalytic activity. The intrinsic photocatalytic activity of the catalysts was evaluated for the degradation of methylene blue (MB) using a microfluidic reactor. A numerical model was employed to extract the intrinsic reaction rate constants. High conversion rates (90% degradation within 20 s residence time) were observed within these microreactors because of the efficient mass transport and light distribution. To evaluate the intrinsic reaction kinetics, we argue that mass transport has to be accounted for. The obtained surface reaction rate constants demonstrate very high reactivity for the sputtered TiO2 films. Only for the thinnest film, 9 nm, slightly lower kinetics were observed.
A Novel Nano/Micro-Fluidic Reactor for Evaluation of Pore-Scale Reactive Transport
Werth, C. J.; Alcalde, R.; Ghazvini, S.; Sanford, R. A.; Fouke, B. W.; Valocchi, A. J.
2017-12-01
The reactive transport of pollutants in groundwater can be affected by the presence of stressor chemicals, which inhibit microbial functions. The stressor can be a primary reactant (e.g., trichloroethene), a reaction product (e.g., nitrite from nitrate), or some other chemical present in groundwater (e.g., antibiotic). In this work, a novel nano/microfluidic cell was developed to examine the effect of the antibiotic ciprofloxacin on nitrate reduction coupled to lactate oxidation. The reactor contains parallel boundary channels that deliver flow and solutes on either side of a pore network. The boundary channels are separated from the pore network by one centimeter-long, one micrometer-thick walls perforated by hundreds of nanoslits. The nanoslits allow solute mass transfer from the boundary channels to the pore network, but not microbial passage. The pore network was inoculated with a pure culture of Shewanella oneidensis MR-1, and this was allowed to grow on lactate and nitrate in the presence of ciprofloxacin, all delivered through the boundary channels. Microbial growth patterns suggest inhibition from ciprofloxacin and the nitrate reduction product nitrite, and a dependence on nitrate and lactate mass transfer rates from the boundary channels. A numerical model was developed to interpret the controlling mechanisms, and results indicate cell chemotaxis also affects nitrate reduction and microbial growth. The results are broadly relevant to bioremediation efforts where one or more chemicals that inhibit microbial growth are present and inhibit pollutant degradation rates.
Almeida, Fernando R; Brayner, Angelo; Rodrigues, Joel J P C; Maia, Jose E Bessa
2017-06-07
An efficient strategy for reducing message transmission in a wireless sensor network (WSN) is to group sensors by means of an abstraction denoted cluster. The key idea behind the cluster formation process is to identify a set of sensors whose sensed values present some data correlation. Nowadays, sensors are able to simultaneously sense multiple different physical phenomena, yielding in this way multidimensional data. This paper presents three methods for clustering sensors in WSNs whose sensors collect multidimensional data. The proposed approaches implement the concept of multidimensional behavioral clustering . To show the benefits introduced by the proposed methods, a prototype has been implemented and experiments have been carried out on real data. The results prove that the proposed methods decrease the amount of data flowing in the network and present low root-mean-square error (RMSE).
Continued validation of the Multidimensional Perfectionism Scale.
Clavin, S L; Clavin, R H; Gayton, W F; Broida, J
1996-06-01
Scores on the Multidimensional Perfectionism Scale have been correlated with measures of obsessive-compulsive tendencies for women, so the validity of scores on this scale for 41 men was examined. Scores on the Perfectionism Scale were significantly correlated (.47-.03) with scores on the Maudsley Obsessive-Compulsive Inventory.
Multidimensional stochastic approximation using locally contractive functions
Lawton, W. M.
1975-01-01
A Robbins-Monro type multidimensional stochastic approximation algorithm which converges in mean square and with probability one to the fixed point of a locally contractive regression function is developed. The algorithm is applied to obtain maximum likelihood estimates of the parameters for a mixture of multivariate normal distributions.
International Nuclear Information System (INIS)
Tournassat, Christophe; Gaucher, Eric C.; Leupin, Olivier X.; Wersin, Paul
2010-01-01
Document available in extended abstract form only. An in-situ test in the Opalinus Clay formation, termed pore water Chemistry (PC) experiment, was run for a period of five years. It was based on the concept of diffusive equilibration whereby traced water with a composition close to that expected in the formation was continuously circulated and monitored in a packed off borehole. The main original focus was to obtain reliable data on the pH/pCO 2 of the pore water, but because of unexpected microbially- induced redox reactions, the objective was then changed to elucidate the biogeochemical processes happening in the borehole and to understand their impact on pH/pCO 2 and pH in the low permeability clay formation. The biologically perturbed chemical evolution of the PC experiment was simulated with reactive transport models. The aim of this modelling exercise was to develop a 'minimal-' model able to reproduce the chemical evolution of the PC experiment, i.e. the chemical evolution of solute inorganic and organic compounds (organic carbon, dissolved inorganic carbon etc...) that are coupled with each other through the simultaneous occurrence of biological transformation of solute or solid compounds, in-diffusion and out-diffusion of solute species and precipitation/dissolution of minerals (in the borehole and in the formation). An accurate description of the initial chemical conditions in the surrounding formation together with simplified kinetics rule mimicking the different phases of bacterial activities allowed reproducing the evolution of all main measured parameters (e.g. pH, TOC). Analyses from the overcoring and these simulations evidence the high buffer capacity of Opalinus clay regarding chemical perturbations due to bacterial activity. This pH buffering capacity is mainly attributed to the carbonate system as well as to the clay surfaces reactivity. Glycerol leaching from the pH-electrode might be the primary organic source responsible for
Directory of Open Access Journals (Sweden)
Duangporn Prasertsubpakij
2012-07-01
Full Text Available Metro systems act as fast and efficient transport systems for many modern metropolises; however, enhancing higher usage of such systems often conflicts with providing suitable accessibility options. The traditional approach of metro accessibility studies seems to be an ineffective measure to gage sustainable access in which the equal rights of all users are taken into account. Bangkok Metropolitan Region (BMR transportation has increasingly relied on the role of two mass rapid transport systems publicly called “BTS Skytrain” and “MRT Subway”, due to limited availability of land and massive road congestion; however, access to such transit arguably treats some vulnerable groups, especially women, the elderly and disabled people unfairly. This study constructs a multi-dimensional assessment of accessibility considerations to scrutinize how user groups access metro services based on BMR empirical case. 600 individual passengers at various stations were asked to rate the questionnaire that simultaneously considers accessibility aspects of spatial, feeder connectivity, temporal, comfort/safety, psychosocial and other dimensions. It was interestingly found by user disaggregated accessibility model that the lower the accessibility perceptions—related uncomfortable and unsafe environment conditions, the greater the equitable access to services, as illustrated by MRT — Hua Lumphong and MRT — Petchaburi stations. The study suggests that, to balance the access priorities of groups on services, policy actions should emphasize acceptably safe access for individuals, cost efficient feeder services connecting the metro lines, socioeconomic influences and time allocation. Insightful discussions on integrated approach balancing different dimensions of accessibility and recommendations would contribute to accessibility-based knowledge and potential propensity to use the public transits towards transport sustainability.
An Improved Multidimensional MPA Procedure for Bidirectional Earthquake Excitations
Directory of Open Access Journals (Sweden)
Feng Wang
2014-01-01
Full Text Available Presently, the modal pushover analysis procedure is extended to multidimensional analysis of structures subjected to multidimensional earthquake excitations. an improved multidimensional modal pushover analysis (IMMPA method is presented in the paper in order to estimate the response demands of structures subjected to bidirectional earthquake excitations, in which the unidirectional earthquake excitation applied on equivalent SDOF system is replaced by the direct superposition of two components earthquake excitations, and independent analysis in each direction is not required and the application of simplified superposition formulas is avoided. The strength reduction factor spectra based on superposition of earthquake excitations are discussed and compared with the traditional strength reduction factor spectra. The step-by-step procedure is proposed to estimate seismic demands of structures. Two examples are implemented to verify the accuracy of the method, and the results of the examples show that (1 the IMMPA method can be used to estimate the responses of structure subjected to bidirectional earthquake excitations. (2 Along with increase of peak of earthquake acceleration, structural response deviation estimated with the IMMPA method may also increase. (3 Along with increase of the number of total floors of structures, structural response deviation estimated with the IMMPA method may also increase.
Sensation-seeking and impulsivity as predictors of reactive and proactive aggression
Directory of Open Access Journals (Sweden)
María Del Carmen Pérez Fuentes
2016-09-01
Full Text Available In adolescence, such matters as substance use and impulsiveness may give rise to problematic behavior repertoires. This study was therefore done to analyze the predictive value of sensation-seeking and impulsiveness dimensions related to the functions of aggression (reactive/proactive and types of expression (physical/relational. A total of 822 high school students in Almeria (Spain aged 13 to 18, were administered the Sensation-Seeking Scale, the State Impulsiveness Scale and Peer Conflict Scale. The results show the existence of a positive correlation of the majority of factors analyzed, both in impulsiveness and sensation-seeking, with respect to the different types of aggression. Furthermore, aggressive behavior is explained by the combination of a sensation-seeking factor (Disinhibition and two impulsiveness factors (Gratification and Automatism. This study shows the need to analyze aggression as a multidimensional construct.
International Nuclear Information System (INIS)
Palmiotti, G.; Carrico, C.B.; Lewis, E.E.
1995-10-01
The theoretical basis, implementation information and numerical results are presented for VARIANT (VARIational Anisotropic Neutron Transport), a FORTRAN module of the DIF3D code system at Argonne National Laboratory. VARIANT employs the variational nodal method to solve multigroup steady-state neutron diffusion and transport problems. The variational nodal method is a hybrid finite element method that guarantees nodal balance and permits spatial refinement through the use of hierarchical complete polynomial trial functions. Angular variables are expanded with complete or simplified P 1 , P 3 or P 5 5 spherical harmonics approximations with full anisotropic scattering capability. Nodal response matrices are obtained, and the within-group equations are solved by red-black or four-color iteration, accelerated by a partitioned matrix algorithm. Fission source and upscatter iterations strategies follow those of DIF3D. Two- and three-dimensional Cartesian and hexagonal geometries are implemented. Forward and adjoint eigenvalue, fixed source, gamma heating, and criticality (concentration) search problems may be performed
Multidimensional Data Modeling For Location-Based Services
DEFF Research Database (Denmark)
Jensen, Christian Søndergaard; Kligys, Augustas; Pedersen, Torben Bach
2004-01-01
and requests of their users in multidimensional databases, i.e., data warehouses, and content delivery may be based on the results of complex queries on these data warehouses. Such queries aggregate detailed data in order to find useful patterns, e.g., in the interaction of a particular user with the services...
Multidimensional Data Modeling For Location-Based Services
DEFF Research Database (Denmark)
Jensen, Christian Søndergaard; Kligys, A.; Pedersen, Torben Bach
2003-01-01
and requests of their users in multidimensional databases, i.e., data warehouses; and content delivery may be based on the results of complex queries on these data warehouses. Such queries aggregate detailed data in order to find useful patterns, e.g., in the interaction of a particular user with the services...
Controlling material reactivity using architecture
Sullivan, Kyle
2017-06-01
The reactivity of thermites can be tailored through selection of several parameters, and can range from very slow burns to rapid deflagrations. 3D printing is a rapidly emerging field, and offers the potential to build architected parts. Here we sought to explore whether controlling such features could be a suitable path forward for gaining additional control of the reactivity. This talk discusses several new methods for preparing thermite samples with controlled architectures using 3D printing. Additionally, we demonstrate that the architecture can play a role in the reactivity of an object. Our results suggest that architecture can be used to tailor the convective and/or advective energy transport during a deflagration, thus enhancing or retarding the reaction. The results are promising in that they give researchers an additional way of controlling the energy release rate without defaulting to the conventional approach of changing the formulation. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. LLNL-ABS-708525. In collaboration with: Cheng Zhu, Eric Duoss, Matt Durban, Alex Gash, Alexandra Golobic, Michael Grapes, David Kolesky, Joshua Kuntz, Jennifer Lewis, Christopher Spadaccini; LAWRENCE LIVERMORE NATIONAL LAB.
ComVisMD - compact visualization of multidimensional data: experimenting with cricket players data
Dandin, Shridhar B.; Ducassé, Mireille
2018-03-01
Database information is multidimensional and often displayed in tabular format (row/column display). Presented in aggregated form, multidimensional data can be used to analyze the records or objects. Online Analytical database Processing (OLAP) proposes mechanisms to display multidimensional data in aggregated forms. A choropleth map is a thematic map in which areas are colored in proportion to the measurement of a statistical variable being displayed, such as population density. They are used mostly for compact graphical representation of geographical information. We propose a system, ComVisMD inspired by choropleth map and the OLAP cube to visualize multidimensional data in a compact way. ComVisMD displays multidimensional data like OLAP Cube, where we are mapping an attribute a (first dimension, e.g. year started playing cricket) in vertical direction, object coloring based on b (second dimension, e.g. batting average), mapping varying-size circles based on attribute c (third dimension, e.g. highest score), mapping numbers based on attribute d (fourth dimension, e.g. matches played). We illustrate our approach on cricket players data, namely on two tables Country and Player. They have a large number of rows and columns: 246 rows and 17 columns for players of one country. ComVisMD’s visualization reduces the size of the tabular display by a factor of about 4, allowing users to grasp more information at a time than the bare table display.
Reactive transport modelling of groundwater chemistry in a chalk aquifer at the watershed scale.
Mangeret, A; De Windt, L; Crançon, P
2012-09-01
This study investigates thermodynamics and kinetics of water-rock interactions in a carbonate aquifer at the watershed scale. A reactive transport model is applied to the unconfined chalk aquifer of the Champagne Mounts (France), by considering both the chalk matrix and the interconnected fracture network. Major element concentrations and main chemical parameters calculated in groundwater and their evolution along flow lines are in fair agreement with field data. A relative homogeneity of the aquifer baseline chemistry is rapidly reached in terms of pH, alkalinity and Ca concentration since calcite equilibrium is achieved over the first metres of the vadose zone. However, incongruent chalk dissolution slowly releases Ba, Mg and Sr in groundwater. Introducing dilution effect by rainwater infiltration and a local occurrence of dolomite improves the agreement between modelling and field data. The dissolution of illite and opal-CT, controlling K and SiO(2) concentrations in the model, can be approximately tackled by classical kinetic rate laws, but not the incongruent chalk dissolution. An apparent kinetic rate has therefore been fitted on field data by inverse modelling: 1.5×10(-5) mol(chalk)L (-1) water year (-1). Sensitivity analysis indicates that the CO(2) partial pressure of the unsaturated zone is a critical parameter for modelling the baseline chemistry over the whole chalk aquifer. Copyright © 2012 Elsevier B.V. All rights reserved.
Testing the multidimensionality of the inventory of school motivation in a Dutch student sample.
Korpershoek, Hanke; Xu, Kun; Mok, Magdalena Mo Ching; McInerney, Dennis M; van der Werf, Greetje
2015-01-01
A factor analytic and a Rasch measurement approach were applied to evaluate the multidimensional nature of the school motivation construct among more than 7,000 Dutch secondary school students. The Inventory of School Motivation (McInerney and Ali, 2006) was used, which intends to measure four motivation dimensions (mastery, performance, social, and extrinsic motivation), each comprising of two first-order factors. One unidimensional model and three multidimensional models (4-factor, 8-factor, higher order) were fit to the data. Results of both approaches showed that the multidimensional models validly represented the school motivation among Dutch secondary school pupils, whereas model fit of the unidimensional model was poor. The differences in model fit between the three multidimensional models were small, although a different model was favoured by the two approaches. The need for improvement of some of the items and the need to increase measurement precision of several first-order factors are discussed.
Directory of Open Access Journals (Sweden)
Berta Schnettler
2017-07-01
Full Text Available The Multidimensional Students’ Life Satisfaction Scale is an instrument to assess life satisfaction in children and adolescents in five life domains. However, research on multidimensional life satisfaction in older students, such as those attending university, is still scarce. This paper undertook to evaluate the psychometric properties of the Multidimensional Students’ Life Satisfaction Scale in a sample of university students from five state universities in Chile. The Multidimensional Students’ Life Satisfaction Scale and Satisfaction with Life Scale were applied to 369 participants. Confirmatory factor analysis was used to evaluate the expected correlated five-factor model of the long version (40 items and the abbreviated version (30 items of the Multidimensional Students’ Life Satisfaction Scale. The goodness-of-fit values obtained from confirmatory factor analysis revealed that the data fit better to the 30-items and five-factor structure than to the 40-item structure. The convergent, concurrent and discriminant validity of the 30-item version was demonstrated. The 30-item version of the Multidimensional Students’ Life Satisfaction Scale may be a promising alternative to measure satisfaction in different life domains in university students, and a valuable tool for differential assessments that guide research and intervention on this population.
On fully multidimensional and high order non oscillatory finite volume methods, I
International Nuclear Information System (INIS)
Lafon, F.
1992-11-01
A fully multidimensional flux formulation for solving nonlinear conservation laws of hyperbolic type is introduced to perform calculations on unstructured grids made of triangular or quadrangular cells. Fluxes are computed across dual median cells with a multidimensional 2D Riemann Solver (R2D Solver) whose intermediate states depend on either a three (on triangle R2DT solver) of four (on quadrangle, R2DQ solver) state solutions prescribed on the three or four sides of a gravity cell. Approximate Riemann solutions are computed via a linearization process of Roe's type involving multidimensional effects. Moreover, a monotonous scheme using stencil and central Lax-Friedrichs corrections on sonic curves are built in. Finally, high order accurate ENO-like (Essentially Non Oscillatory) reconstructions using plane and higher degree polynomial limitations are defined in the set up of finite element Lagrange spaces P k and Q k for k≥0, on triangles and quadrangles, respectively. Numerical experiments involving both linear and nonlinear conservation laws to be solved on unstructured grids indicate the ability of our techniques when dealing with strong multidimensional effects. An application to Euler's equations for the Mach three step problem illustrates the robustness and usefulness of our techniques using triangular and quadrangular grids. (Author). 33 refs., 13 figs
Energy Technology Data Exchange (ETDEWEB)
Lovley, Derek R.
2012-10-31
This project successfully accomplished its goal of coupling genome-scale metabolic models with hydrological and geochemical models to predict the activity of subsurface microorganisms during uranium bioremediation. Furthermore, it was demonstrated how this modeling approach can be used to develop new strategies to optimize bioremediation. The approach of coupling genome-scale metabolic models with reactive transport modeling is now well enough established that it has been adopted by other DOE investigators studying uranium bioremediation. Furthermore, the basic principles developed during our studies will be applicable to much broader investigations of microbial activities, not only for other types of bioremediation, but microbial metabolism in diversity of environments. This approach has the potential to make an important contribution to predicting the impact of environmental perturbations on the cycling of carbon and other biogeochemical cycles.
Energy Technology Data Exchange (ETDEWEB)
Morhac, M. [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava (Slovakia)]. E-mail: fyzimiro@savba.sk; Matousek, V. [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava (Slovakia); Turzo, I. [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava (Slovakia); Kliman, J. [Institute of Physics, Slovak Academy of Sciences, Dubravska cesta 9, 845 11 Bratislava (Slovakia)
2006-04-01
Multidimensional data acquisition, processing and visualization system to analyze experimental data in nuclear physics is described. It includes a large number of sophisticated algorithms of the multidimensional spectra processing, including background elimination, deconvolution, peak searching and fitting.
International Nuclear Information System (INIS)
Bachet, Martin; Jauberty, Loic; De Windt, Laurent; Dieuleveult, Caroline de; Tevissen, Etienne
2014-01-01
Experiments performed under chemical and flow conditions representative of pressurized water reactors (PWR) primary fluid purification by ion exchange resins (Amberlite IRN9882) are modeled with the OPTIPUR code, considering 1D reactive transport in the mixed-bed column with convective/dispersive transport between beads and electro-diffusive transport within the boundary film around the beads. The effectiveness of the purification in these dilute conditions is highly related to film mass transfer restrictions, which are accounted for by adjustment of a common mass transfer coefficient (MTC) on the experimental initial leakage or modeling of species diffusion through the bead film by the Nernst-Planck equation. A detailed analysis of the modeling against experimental data shows that the Nernst-Planck approach with no adjustable parameters performs as well as, or better than, the MTC approach, particularly to simulate the chromatographic elution of silver by nickel and the subsequent enrichment of the solution in the former metal. (authors)
Multidimensional first-order dominance comparisons of population wellbeing
DEFF Research Database (Denmark)
Arndt, Thomas Channing; Siersbæk, Nikolaj; Østerdal, Lars Peter Raahave
In this paper, we convey the concept of first-order dominance (FOD) with particular focus on applications to multidimensional population welfare comparisons. We give an account of the fundamental equivalent definitions of FOD, illustrated with simple numerical examples. An implementable method...
Zhong, Jian; Cai, Xiao-Ming; Bloss, William James
2015-05-01
This study investigates the dispersion and transport of reactive pollutants in a deep urban street canyon with an aspect ratio of 2 under neutral meteorological conditions using large-eddy simulation. The spatial variation of pollutants is significant due to the existence of two unsteady vortices. The deviation of species abundance from chemical equilibrium for the upper vortex is greater than that for the lower vortex. The interplay of dynamics and chemistry is investigated using two metrics: the photostationary state defect, and the inferred ozone production rate. The latter is found to be negative at all locations within the canyon, pointing to a systematic negative offset to ozone production rates inferred by analogous approaches in environments with incomplete mixing of emissions. This study demonstrates an approach to quantify parameters for a simplified two-box model, which could support traffic management and urban planning strategies and personal exposure assessment. Copyright © 2015 Elsevier Ltd. All rights reserved.
Lee, Eunjung
2013-01-01
The purpose of this research was to compare the equating performance of various equating procedures for the multidimensional tests. To examine the various equating procedures, simulated data sets were used that were generated based on a multidimensional item response theory (MIRT) framework. Various equating procedures were examined, including…
Using the Andrews Plotss to Visualize Multidimensional Data in Multi-criteria Optimization
S. V. Groshev; N. V. Pivovarova
2015-01-01
Currently, issues on processing of large data volumes are of great importance. Initially, the Andrews plots have been proposed to show multidimensional statistics on the plane. But as the Andrews plots retain information on the average values of the represented values, distances, and dispersion, the distances between the plots linearly indicate distances between the data points, and it becomes possible to use the plots under consideration for the graphical representation of multi-dimensional ...
Multidimensional Rank Reduction Estimator for Parametric MIMO Channel Models
Directory of Open Access Journals (Sweden)
Marius Pesavento
2004-08-01
Full Text Available A novel algebraic method for the simultaneous estimation of MIMO channel parameters from channel sounder measurements is developed. We consider a parametric multipath propagation model with P discrete paths where each path is characterized by its complex path gain, its directions of arrival and departure, time delay, and Doppler shift. This problem is treated as a special case of the multidimensional harmonic retrieval problem. While the well-known ESPRIT-type algorithms exploit shift-invariance between specific partitions of the signal matrix, the rank reduction estimator (RARE algorithm exploits their internal Vandermonde structure. A multidimensional extension of the RARE algorithm is developed, analyzed, and applied to measurement data recorded with the RUSK vector channel sounder in the 2 GHz band.
Dynameomics: a multi-dimensional analysis-optimized database for dynamic protein data.
Kehl, Catherine; Simms, Andrew M; Toofanny, Rudesh D; Daggett, Valerie
2008-06-01
The Dynameomics project is our effort to characterize the native-state dynamics and folding/unfolding pathways of representatives of all known protein folds by way of molecular dynamics simulations, as described by Beck et al. (in Protein Eng. Des. Select., the first paper in this series). The data produced by these simulations are highly multidimensional in structure and multi-terabytes in size. Both of these features present significant challenges for storage, retrieval and analysis. For optimal data modeling and flexibility, we needed a platform that supported both multidimensional indices and hierarchical relationships between related types of data and that could be integrated within our data warehouse, as described in the accompanying paper directly preceding this one. For these reasons, we have chosen On-line Analytical Processing (OLAP), a multi-dimensional analysis optimized database, as an analytical platform for these data. OLAP is a mature technology in the financial sector, but it has not been used extensively for scientific analysis. Our project is further more unusual for its focus on the multidimensional and analytical capabilities of OLAP rather than its aggregation capacities. The dimensional data model and hierarchies are very flexible. The query language is concise for complex analysis and rapid data retrieval. OLAP shows great promise for the dynamic protein analysis for bioengineering and biomedical applications. In addition, OLAP may have similar potential for other scientific and engineering applications involving large and complex datasets.
Evaluation of criticality criteria for fissile class II packages in transportation
International Nuclear Information System (INIS)
Thomas, J.T.
1976-01-01
The nuclear criticality safety of packages in transportation is explored systematically by a surface density representation of reflected array criticality of air-spaced units. Typical perturbations to arrays are shown to be related analytically to the corresponding reactivity changes they produce. The reactivity change associated with the removal of three reflecting surfaces from a totally water reflected array is shown to depend upon the fissile material loading of the packages. For U(93.2) metal, the expected reactivity loss can range from 2 to 21%. Replacement of a three-sided reflector of water on a critical array by one of concrete results in a reactivity increase ranging from 0 to 6%. Mass limits established by criticality data for reflected arrays of air-spaced units can provide a minimum, uniform margin of safety, expressible in terms of reactivity, to more reliably specify subcriticality in transport. Mass limits less than those defined by air-spaced units in water-reflected arrays are unnecessary for Fissile Class II packages. (author)
Chemometric Strategies for Peak Detection and Profiling from Multidimensional Chromatography.
Navarro-Reig, Meritxell; Bedia, Carmen; Tauler, Romà; Jaumot, Joaquim
2018-04-03
The increasing complexity of omics research has encouraged the development of new instrumental technologies able to deal with these challenging samples. In this way, the rise of multidimensional separations should be highlighted due to the massive amounts of information that provide with an enhanced analyte determination. Both proteomics and metabolomics benefit from this higher separation capacity achieved when different chromatographic dimensions are combined, either in LC or GC. However, this vast quantity of experimental information requires the application of chemometric data analysis strategies to retrieve this hidden knowledge, especially in the case of nontargeted studies. In this work, the most common chemometric tools and approaches for the analysis of this multidimensional chromatographic data are reviewed. First, different options for data preprocessing and enhancement of the instrumental signal are introduced. Next, the most used chemometric methods for the detection of chromatographic peaks and the resolution of chromatographic and spectral contributions (profiling) are presented. The description of these data analysis approaches is complemented with enlightening examples from omics fields that demonstrate the exceptional potential of the combination of multidimensional separation techniques and chemometric tools of data analysis. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Ordinal Comparison of Multidimensional Deprivation
DEFF Research Database (Denmark)
Sonne-Schmidt, Christoffer Scavenius; Tarp, Finn; Østerdal, Lars Peter
This paper develops an ordinal method of comparison of multidimensional inequality. In our model, population distribution g is more unequal than f when the distributions have common median and can be obtained from f by one or more shifts in population density that increase inequality. For our be...... benchmark 2x2 case (i.e. the case of two binary outcome variables), we derive an empirical method for making inequality comparisons. As an illustration, we apply the model to childhood poverty in Mozambique....
Mills, R. T.; Rupp, K.; Smith, B. F.; Brown, J.; Knepley, M.; Zhang, H.; Adams, M.; Hammond, G. E.
2017-12-01
As the high-performance computing community pushes towards the exascale horizon, power and heat considerations have driven the increasing importance and prevalence of fine-grained parallelism in new computer architectures. High-performance computing centers have become increasingly reliant on GPGPU accelerators and "manycore" processors such as the Intel Xeon Phi line, and 512-bit SIMD registers have even been introduced in the latest generation of Intel's mainstream Xeon server processors. The high degree of fine-grained parallelism and more complicated memory hierarchy considerations of such "manycore" processors present several challenges to existing scientific software. Here, we consider how the massively parallel, open-source hydrologic flow and reactive transport code PFLOTRAN - and the underlying Portable, Extensible Toolkit for Scientific Computation (PETSc) library on which it is built - can best take advantage of such architectures. We will discuss some key features of these novel architectures and our code optimizations and algorithmic developments targeted at them, and present experiences drawn from working with a wide range of PFLOTRAN benchmark problems on these architectures.
Wallis, Ilka; Prommer, Henning; Pichler, Thomas; Post, Vincent; Norton, Stuart B; Annable, Michael D; Simmons, Craig T
2011-08-15
Aquifer storage and recovery (ASR) is an aquifer recharge technique in which water is injected in an aquifer during periods of surplus and withdrawn from the same well during periods of deficit. It is a critical component of the long-term water supply plan in various regions, including Florida, USA. Here, the viability of ASR as a safe and cost-effective water resource is currently being tested at a number of sites due to elevated arsenic concentrations detected during groundwater recovery. In this study, we developed a process-based reactive transport model of the coupled physical and geochemical mechanisms controlling the fate of arsenic during ASR. We analyzed multicycle hydrochemical data from a well-documented affected southwest Floridan site and evaluated a conceptual/numerical model in which (i) arsenic is initially released during pyrite oxidation triggered by the injection of oxygenated water (ii) then largely complexes to neo-formed hydrous ferric oxides before (iii) being remobilized during recovery as a result of both dissolution of hydrous ferric oxides and displacement from sorption sites by competing anions.
International Nuclear Information System (INIS)
Galindez, Juan Manuel; Molinero, Jorge
2010-01-01
Cement-based grout plays a significant role in the design and performance of nuclear waste repositories: used correctly, it can enhance their safety. However, the high water-to-binder ratios, which are required to meet the desired workability and injection ability at early age, lead to high porosity that may affect the durability of this material and undermine its long-term geochemical performance. In this paper, a new methodology is presented in order to help the process of mix design which best meets the compromise between these two conflicting requirements. It involves the combined use of the computer programs CEMHYD3D for the generation of digital-image-based microstructures and CrunchFlow, for the reactive transport calculations affecting the materials so simulated. This approach is exemplified with two grout types, namely, the so-called Standard mix 5/5, used in the upper parts of the structure, and the 'low-pH' P308B, to be injected at higher depths. The results of the digital reconstruction of the mineralogical composition of the hardened paste are entirely logical, as the microstructures display high degrees of hydration, large porosities and low or nil contents of aluminium compounds. Diffusion of solutes in the pore solution was considered to be the dominant transport process. A single scenario was studied for both mix designs and their performances were compared. The reactive transport model adequately reproduces the process of decalcification of the C-S-H and the precipitation of calcite, which is corroborated by empirical observations. It was found that the evolution of the deterioration process is sensitive to the chemical composition of groundwater, its effects being more severe when grout is set under continuous exposure to poorly mineralized groundwater. Results obtained appear to indicate that a correct conceptualization of the problem was accomplished and support the assumption that, in absence of more reliable empirical data, it might
Multidimensional Risk Management for Underground Electricity Networks
Directory of Open Access Journals (Sweden)
Garcez Thalles V.
2014-08-01
Full Text Available In the paper we consider an electricity provider company that makes decision on allocating resources on electric network maintenance. The investments decrease malfunction rate of network nodes. An accidental event (explosion, fire, etc. or a malfunctioning on underground system can have various consequences and in different perspectives, such as deaths and injuries of pedestrians, fires in nearby locations, disturbances in the flow of vehicular traffic, loss to the company image, operating and financial losses, etc. For this reason it is necessary to apply an approach of the risk management that considers the multidimensional view of the consequences. Furthermore an analysis of decision making should consider network dependencies between the nodes of the electricity distribution system. In the paper we propose the use of the simulation to assess the network effects (such as the increase of the probability of other accidental event and the occurrence of blackouts of the dependent nodes in the multidimensional risk assessment in electricity grid. The analyzed effects include node overloading due to malfunction of adjacent nodes and blackouts that take place where there is temporarily no path in the grid between the power plant and a node. The simulation results show that network effects have crucial role for decisions in the network maintenance – outcomes of decisions to repair a particular node in the network can have significant influence on performance of other nodes. However, those dependencies are non-linear. The effects of network connectivity (number of connections between nodes on its multidimensional performance assessment depend heavily on the overloading effect level. The simulation results do not depend on network type structure (random or small world – however simulation outcomes for random networks have shown higher variance compared to small-world networks.
Psychometric properties of the Multidimensional Anxiety Scale for ...
African Journals Online (AJOL)
Aim: To determine the psychometric properties of the Multidimensional Anxiety Scale for Children (MASC) in Nairobi public secondary school children, Kenya. Method: Concurrent self-administration of the MASC and Children's Depression Inventory (CDI) to students in Nairobi public secondary schools. Results: The MASC ...
Multidimensional and Multimodal Separations by HPTLC in Phytochemistry
Ciesla, Lukasz; Waksmundzka-Hajnos, Monika
HPTLC is one of the most widely applied methods in phytochemical analysis. It is due to its numerous advantages, e.g., it is the only chromatographic method offering the option of presenting the results as an image. Other advantages include simplicity, low costs, parallel analysis of samples, high sample capacity, rapidly obtained results, and possibility of multiple detection. HPTLC provides identification as well as quantitative results. It also enables the identification of adulterants. In case of complex samples, the resolving power of traditional one-dimensional chromatography is usually inadequate, hence special modes of development are required. Multidimensional and multimodal HPTLC techniques include those realized in one direction (UMD, IMD, GMD, BMD, AMD) as well as typical two-dimensional methods realized on mono- or bi-layers. In this manuscript, an overview on variable multidimensional and multimodal methods, applied in the analysis of phytochemical samples, is presented.
A Multidimensional Data Warehouse for Community Health Centers.
Kunjan, Kislaya; Toscos, Tammy; Turkcan, Ayten; Doebbeling, Brad N
2015-01-01
Community health centers (CHCs) play a pivotal role in healthcare delivery to vulnerable populations, but have not yet benefited from a data warehouse that can support improvements in clinical and financial outcomes across the practice. We have developed a multidimensional clinic data warehouse (CDW) by working with 7 CHCs across the state of Indiana and integrating their operational, financial and electronic patient records to support ongoing delivery of care. We describe in detail the rationale for the project, the data architecture employed, the content of the data warehouse, along with a description of the challenges experienced and strategies used in the development of this repository that may help other researchers, managers and leaders in health informatics. The resulting multidimensional data warehouse is highly practical and is designed to provide a foundation for wide-ranging healthcare data analytics over time and across the community health research enterprise.
Multidimensional (OLAP) Analysis for Designing Dynamic Learning Strategy
Rozeva, A.; Deliyska, B.
2010-10-01
Learning strategy in an intelligent learning system is generally elaborated on the basis of assessment of the following factors: learner's time for reaction, content of the learning object, amount of learning material in a learning object, learning object specification, e-learning medium and performance control. Current work proposes architecture for dynamic learning strategy design by implementing multidimensional analysis model of learning factors. The analysis model concerns on-line analytical processing (OLAP) of learner's data structured as multidimensional cube. Main components of the architecture are analysis agent for performing the OLAP operations on learner data cube, adaptation generator and knowledge selection agent for performing adaptive navigation in the learning object repository. The output of the analysis agent is involved in dynamic elaboration of learning strategy that fits best to learners profile and behavior. As a result an adaptive learning path for individual learner and for learner groups is generated.
Multidimensional generalized-ensemble algorithms for complex systems.
Mitsutake, Ayori; Okamoto, Yuko
2009-06-07
We give general formulations of the multidimensional multicanonical algorithm, simulated tempering, and replica-exchange method. We generalize the original potential energy function E(0) by adding any physical quantity V of interest as a new energy term. These multidimensional generalized-ensemble algorithms then perform a random walk not only in E(0) space but also in V space. Among the three algorithms, the replica-exchange method is the easiest to perform because the weight factor is just a product of regular Boltzmann-like factors, while the weight factors for the multicanonical algorithm and simulated tempering are not a priori known. We give a simple procedure for obtaining the weight factors for these two latter algorithms, which uses a short replica-exchange simulation and the multiple-histogram reweighting techniques. As an example of applications of these algorithms, we have performed a two-dimensional replica-exchange simulation and a two-dimensional simulated-tempering simulation using an alpha-helical peptide system. From these simulations, we study the helix-coil transitions of the peptide in gas phase and in aqueous solution.
Multidimensional biochemical information processing of dynamical patterns.
Hasegawa, Yoshihiko
2018-02-01
Cells receive signaling molecules by receptors and relay information via sensory networks so that they can respond properly depending on the type of signal. Recent studies have shown that cells can extract multidimensional information from dynamical concentration patterns of signaling molecules. We herein study how biochemical systems can process multidimensional information embedded in dynamical patterns. We model the decoding networks by linear response functions, and optimize the functions with the calculus of variations to maximize the mutual information between patterns and output. We find that, when the noise intensity is lower, decoders with different linear response functions, i.e., distinct decoders, can extract much information. However, when the noise intensity is higher, distinct decoders do not provide the maximum amount of information. This indicates that, when transmitting information by dynamical patterns, embedding information in multiple patterns is not optimal when the noise intensity is very large. Furthermore, we explore the biochemical implementations of these decoders using control theory and demonstrate that these decoders can be implemented biochemically through the modification of cascade-type networks, which are prevalent in actual signaling pathways.